data_2jzt_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 2jzt _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.688 ' HG3' HD22 ' A' ' 14' ' ' LEU . 20.9 ptt180 -60.28 -29.87 69.1 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.811 178.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.688 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.8 mm? -70.59 -35.79 73.21 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-O 120.929 0.395 . . . . 0.0 110.103 176.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.08 -26.61 65.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.156 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.9 m -67.96 -27.55 66.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.299 175.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 17' ' ' ARG . 22.2 ttm-85 -82.08 -32.78 30.14 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.77 -146.46 18.47 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.536 -0.757 . . . . 0.0 112.224 173.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.722 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 27.0 m0 68.58 158.31 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.908 0.883 . . . . 0.0 113.009 175.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -98.98 131.7 24.96 Favored Pre-proline 0 N--CA 1.449 -0.475 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.001 -177.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -79.32 119.1 4.09 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 122.322 2.015 . . . . 0.0 111.52 173.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.3 m -122.39 164.25 19.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.013 0.435 . . . . 0.0 111.988 -175.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.513 ' HB2' HG22 ' A' ' 26' ' ' THR . 45.1 mt-10 -111.88 174.42 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 176.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.31 72.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.886 0.374 . . . . 0.0 110.736 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.3 t -80.85 -58.12 3.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.42 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.513 HG22 ' HB2' ' A' ' 23' ' ' GLU . 14.4 t -73.67 -6.18 45.18 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -171.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.5 p -67.65 -26.54 35.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.61 -53.25 58.8 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.437 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -65.61 -35.87 82.07 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.905 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -58.6 -50.54 73.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.525 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 27' ' ' VAL . 85.9 mt -58.97 -47.34 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.575 -178.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -27.52 69.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.172 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.515 ' HD3' ' O ' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -81.61 -45.14 16.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.68 0.276 . . . . 0.0 110.634 -179.168 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.502 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 34.6 m -76.95 -39.31 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.761 -175.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.73 -56.57 5.04 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 121.108 -0.567 . . . . 0.0 112.257 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -123.32 122.08 37.42 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -176.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.52 -177.33 48.31 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 120.071 -1.062 . . . . 0.0 112.827 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.443 ' HB ' ' CG2' ' A' ' 95' ' ' THR . 14.2 m -139.69 135.92 39.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.043 0.449 . . . . 0.0 110.605 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.402 HD11 ' N ' ' A' ' 39' ' ' ILE . 3.4 mp -102.63 125.39 56.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.3 mt -93.45 118.71 31.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.792 176.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 80' ' ' SER . 88.5 mt -84.15 173.92 10.66 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.5 t . . . . . 0 C--N 1.325 -0.488 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.53 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 121.112 0.482 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.4 ptt? -92.18 -4.97 53.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.044 0.449 . . . . 0.0 110.76 -176.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.0 tp -72.88 -21.51 19.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.308 0.575 . . . . 0.0 110.078 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.17 -46.69 76.51 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.456 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.665 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 11.7 pt-20 -70.01 -29.25 66.27 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.696 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.12 -51.93 67.02 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 173.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.1 tt -55.21 -42.7 73.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.211 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.665 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 5.2 ptp180 -80.22 -8.98 59.7 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -176.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -83.21 -17.95 40.98 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.486 ' HE2' ' SD ' ' A' ' 120' ' ' MET . 20.0 m-85 -119.9 73.18 17.9 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.857 175.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -82.48 9.96 3.79 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.819 2.346 . . . . 0.0 112.609 -173.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -71.84 -35.31 69.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.404 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.523 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 4.5 m-85 -112.79 160.07 18.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.083 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -102.81 97.35 7.51 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 173.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.523 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 12.1 m95 -84.78 136.28 33.76 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.423 -171.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.502 ' OE1' ' HB ' ' A' ' 34' ' ' VAL . 28.0 mp0 -102.45 130.65 49.3 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 170.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.722 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 22.7 t -104.97 137.06 36.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.44 158.99 33.02 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.762 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 13.7 m -118.14 134.4 61.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.883 177.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.601 ' O ' ' HB2' ' A' ' 79' ' ' GLN . . . -102.27 24.54 10.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.166 -172.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.581 ' CG ' ' H ' ' A' ' 77' ' ' LEU . 18.8 t70 54.66 -157.8 0.2 Allowed 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.581 ' H ' ' CG ' ' A' ' 76' ' ' ASP . 6.2 mp -101.15 -35.89 9.15 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 177.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -77.11 -53.8 7.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.035 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.601 ' HB2' ' O ' ' A' ' 75' ' ' ALA . 63.5 mm-40 -57.91 -33.65 69.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.888 -174.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.451 ' HA ' HD23 ' A' ' 41' ' ' LEU . 72.4 m -53.01 -33.89 53.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.356 178.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . 0.549 ' HG3' ' HD2' ' A' ' 91' ' ' ARG . 38.2 tt0 -72.82 -42.95 63.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.633 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.11 -42.2 60.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.873 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.463 HD13 ' HB1' ' A' ' 75' ' ' ALA . 60.0 mt -64.59 -44.24 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 178.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.468 ' HA2' HG11 ' A' ' 89' ' ' VAL . . . -60.56 -39.07 95.94 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.026 178.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -62.72 -46.11 89.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.822 0.344 . . . . 0.0 110.485 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -62.34 -42.41 99.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.222 -177.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -92.18 5.29 50.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.988 0.423 . . . . 0.0 111.337 -175.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 12.3 m120 68.05 34.5 4.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.3 170.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.468 HG11 ' HA2' ' A' ' 84' ' ' GLY . 8.0 p -95.06 9.88 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 122.076 0.941 . . . . 0.0 108.462 173.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 72.56 -81.85 0.03 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-N 113.907 -1.497 . . . . 0.0 110.938 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.549 ' HD2' ' HG3' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -171.58 19.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.338 . . . . 0.0 110.746 -179.448 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -104.58 155.62 37.12 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.263 -175.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.24 126.07 17.76 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.035 2.49 . . . . 0.0 112.131 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.46 ' HB2' HG21 ' A' ' 89' ' ' VAL . . . -164.56 157.13 16.72 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.135 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.443 ' CG2' ' HB ' ' A' ' 38' ' ' VAL . 22.6 m -95.32 136.6 35.47 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.22 174.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.11 124.78 35.59 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 38.2 t -92.74 106.15 17.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.552 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.452 ' CZ ' HD12 ' A' ' 103' ' ' LEU . 23.5 m-85 -117.41 123.21 45.87 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.24 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 33.6 p -144.34 153.8 42.37 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 177.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 64.5 14.48 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.339 0.4 . . . . 0.0 110.852 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 69.82 23.54 76.83 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.254 -173.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -138.76 154.78 48.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.95 0.405 . . . . 0.0 110.795 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.452 HD12 ' CZ ' ' A' ' 98' ' ' PHE . 57.7 tp -80.19 122.99 27.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.009 0.433 . . . . 0.0 111.437 -177.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.487 ' HB3' HG21 ' A' ' 123' ' ' ILE . 20.2 mmt180 -89.4 -33.74 16.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.164 175.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 147.89 -159.15 27.94 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.845 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -124.85 163.08 22.96 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.77 0.319 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.27 -40.12 85.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.449 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 85.1 mt -57.97 -57.71 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.701 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 45.6 m -64.42 -39.7 94.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.497 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.15 -50.65 71.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 110.181 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.493 ' O ' HG23 ' A' ' 124' ' ' VAL . 27.2 ttt -68.77 -38.94 80.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.255 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -60.84 -36.07 78.18 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 122.245 0.218 . . . . 0.0 111.552 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.9 t -59.34 -30.69 68.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.659 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.487 HG21 ' HB3' ' A' ' 104' ' ' ARG . 54.3 mt -86.68 -41.58 14.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.746 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 120' ' ' MET . 35.7 m -97.0 33.4 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.026 0.441 . . . . 0.0 111.114 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.636 -175.972 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 112.484 0.549 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.483 ' O ' HG23 ' A' ' 16' ' ' THR . 21.2 ptt180 -66.16 -26.65 67.52 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.599 0.238 . . . . 0.0 111.159 -176.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.632 HD11 HG22 ' A' ' 56' ' ' VAL . 4.0 mm? -73.97 -37.96 64.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.066 0.46 . . . . 0.0 110.447 176.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.509 ' HA ' ' HB2' ' A' ' 19' ' ' TRP . 70.7 mt -66.52 -27.16 67.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.698 -175.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 13' ' ' ARG . 4.1 t -59.25 -25.63 64.22 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -173.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -76.78 4.72 9.05 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.715 0.293 . . . . 0.0 111.477 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.58 29.78 8.05 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.48 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.509 ' HB2' ' HA ' ' A' ' 15' ' ' LEU . 36.2 m0 -96.49 131.2 43.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.067 0.461 . . . . 0.0 110.312 -178.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -98.84 121.28 56.54 Favored Pre-proline 0 N--CA 1.445 -0.695 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.76 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.504 ' HD3' HD23 ' A' ' 15' ' ' LEU . 37.3 Cg_endo -68.59 132.88 26.31 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 121.997 1.798 . . . . 0.0 110.155 170.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.4 m -123.92 166.68 18.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.675 0.75 . . . . 0.0 112.675 -174.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.532 ' HB2' HG21 ' A' ' 26' ' ' THR . 52.3 mt-10 -119.69 175.7 5.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.307 -1.315 . . . . 0.0 108.599 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.8 -30.03 66.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.236 0.541 . . . . 0.0 110.391 176.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.3 t -78.29 -53.71 7.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.389 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.532 HG21 ' HB2' ' A' ' 23' ' ' GLU . 14.5 t -79.11 -13.22 59.87 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -172.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.467 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.8 p -62.18 -32.71 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 176.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.3 -47.82 84.4 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.277 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.535 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 12.9 t70 -68.0 -45.33 74.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.868 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -58.31 -46.2 86.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 27' ' ' VAL . 96.4 mt -57.94 -52.36 59.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.235 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.535 ' HE3' ' HA ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -70.86 -20.64 62.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.963 0.411 . . . . 0.0 111.113 -177.562 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -72.98 -46.43 52.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.154 0.502 . . . . 0.0 110.954 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.7 m -88.18 -36.79 9.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.089 -177.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.66 -50.26 4.33 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.607 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -124.69 133.78 53.09 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.9 -175.74 42.08 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.198 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.8 m -131.05 139.74 50.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.186 0.517 . . . . 0.0 111.368 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.44 ' HB ' ' HB2' ' A' ' 96' ' ' LEU . 70.4 mt -109.17 123.77 65.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.406 175.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.443 HD13 HG23 ' A' ' 58' ' ' ILE . 76.5 mt -98.42 127.17 44.24 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.3 mt -77.26 157.01 31.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 174.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.327 -174.646 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.632 HG22 HD11 ' A' ' 14' ' ' LEU . 23.9 t . . . . . 0 CA--C 1.528 0.115 0 CA-C-O 121.143 0.497 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.5 mmt -95.59 11.1 34.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.904 -174.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.443 HG23 HD13 ' A' ' 40' ' ' LEU . 10.8 tt -80.87 -14.05 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.707 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.78 75.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.814 -176.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.44 -28.05 61.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.179 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.579 HD23 HD22 ' A' ' 116' ' ' LEU . 1.8 tm? -57.3 -45.26 84.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.162 0.506 . . . . 0.0 110.397 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.96 -27.04 60.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.794 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -74.55 -12.35 60.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.066 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -79.9 -19.61 47.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.877 0.37 . . . . 0.0 110.31 -174.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -120.5 70.63 17.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.143 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -81.85 42.94 1.41 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.315 2.01 . . . . 0.0 112.411 -174.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -91.57 -40.61 11.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.332 0.587 . . . . 0.0 109.493 178.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.406 ' HD2' ' CE2' ' A' ' 70' ' ' TRP . 2.2 m-85 -113.48 174.17 6.05 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.28 -179.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -97.4 89.56 4.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.163 0.506 . . . . 0.0 109.725 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.406 ' CE2' ' HD2' ' A' ' 68' ' ' PHE . 51.1 m95 -79.75 143.52 34.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.997 -176.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -133.07 155.38 49.33 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.239 172.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.9 t -109.98 127.96 66.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.133 0.492 . . . . 0.0 111.117 -175.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -119.22 141.8 48.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.38 174.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 15.4 m -120.57 135.96 59.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.161 0.505 . . . . 0.0 110.921 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.421 ' HB1' ' HA ' ' A' ' 80' ' ' SER . . . -91.93 128.31 37.72 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.541 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.529 ' HB3' ' OE1' ' A' ' 79' ' ' GLN . 17.0 t70 -64.92 159.05 23.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.003 177.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp -51.99 -33.86 40.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.919 0.39 . . . . 0.0 111.722 -176.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -78.03 -52.3 9.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.166 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.529 ' OE1' ' HB3' ' A' ' 76' ' ' ASP . 25.0 mp0 -74.93 -24.7 58.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -172.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.421 ' HA ' ' HB1' ' A' ' 75' ' ' ALA . 61.3 p -53.83 -40.02 66.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -62.14 -51.73 66.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.667 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.57 -38.36 87.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.287 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.1 mt -65.75 -52.96 43.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.809 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.13 -31.56 81.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.909 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.48 -41.2 84.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.696 0.284 . . . . 0.0 110.827 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -60.55 -39.82 89.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -83.62 0.53 46.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.469 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 60.57 30.68 19.92 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.119 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.605 HG22 HD13 ' A' ' 96' ' ' LEU . 57.5 t -86.55 -63.61 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.178 175.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.416 ' HG2' ' H ' ' A' ' 91' ' ' ARG . 37.3 ttm180 61.85 179.21 0.12 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.564 176.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.416 ' H ' ' HG2' ' A' ' 90' ' ' ARG . 24.6 mmt180 74.17 -134.61 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.891 0.476 . . . . 0.0 111.626 175.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.532 ' HB3' ' HD2' ' A' ' 93' ' ' PRO . 65.2 m-85 -75.31 161.61 76.2 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.427 -173.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.532 ' HD2' ' HB3' ' A' ' 92' ' ' PHE . 10.3 Cg_endo -53.95 125.72 19.64 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.021 2.481 . . . . 0.0 112.374 178.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.438 ' HB2' ' HB2' ' A' ' 106' ' ' ALA . . . -131.54 134.55 46.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.55 -177.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.4 m -76.57 124.7 28.02 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 172.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.605 HD13 HG22 ' A' ' 89' ' ' VAL . 3.4 mm? -91.15 125.22 35.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.899 0.38 . . . . 0.0 110.25 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 62.7 t -95.4 104.51 15.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.444 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.429 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 21.2 m-85 -109.94 127.39 54.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.472 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.2 p -145.32 136.92 25.3 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.961 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.1 t0 62.57 23.82 14.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.531 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.62 11.96 82.76 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 120.983 -0.627 . . . . 0.0 113.037 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.454 ' HD3' ' N ' ' A' ' 103' ' ' LEU . 1.5 tmtp? -122.17 143.14 49.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.253 0.527 . . . . 0.0 110.392 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.454 ' N ' ' HD3' ' A' ' 102' ' ' LYS . 68.6 tp -82.35 115.04 21.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.383 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -85.4 -26.64 26.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.614 -177.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 157.03 -177.74 33.77 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.05 176.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.438 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . . . -110.68 148.47 32.2 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 178.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.32 -0.684 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 CA--C 1.521 -0.135 0 CA-C-O 120.878 0.371 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.579 HD22 HD23 ' A' ' 61' ' ' LEU . 6.9 tt -52.04 -40.07 60.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.578 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.48 -36.26 75.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.338 -178.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.0 m -85.93 -50.29 7.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.874 0.369 . . . . 0.0 111.135 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.81 -49.66 74.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.893 -175.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 28.3 ttt -76.02 -34.9 59.69 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.467 -173.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.541 ' HA ' HG23 ' A' ' 124' ' ' VAL . 28.7 ttt180 -62.7 -43.53 98.56 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.48 -178.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.3 m -57.14 -30.68 64.63 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.174 0.512 . . . . 0.0 111.2 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 50.4 mm -80.78 -42.05 20.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.01 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.541 HG23 ' HA ' ' A' ' 121' ' ' ARG . 14.8 m -84.27 -12.54 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.659 -175.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -178.493 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.499 0.19 . . . . 0.0 111.509 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.417 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 6.1 tpp180 -62.9 -33.42 75.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.316 -177.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.3 mt -66.07 -39.05 89.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.018 0.437 . . . . 0.0 110.019 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.44 HD23 ' HD3' ' A' ' 21' ' ' PRO . 74.5 mt -68.7 -41.43 79.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.948 177.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.1 m -56.46 -30.67 63.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.345 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.3 ttm-85 -74.73 -11.41 60.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.364 -175.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.74 10.49 10.12 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.471 -0.871 . . . . 0.0 113.12 176.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 48.6 m0 -98.32 138.78 35.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.694 0.283 . . . . 0.0 110.798 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -108.6 143.33 27.3 Favored Pre-proline 0 N--CA 1.447 -0.584 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.534 177.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.44 ' HD3' HD23 ' A' ' 15' ' ' LEU . 62.9 Cg_endo -77.58 128.01 9.21 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.587 2.191 . . . . 0.0 112.673 178.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.0 m -111.81 167.47 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.096 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.498 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 39.4 mt-10 -137.34 166.57 23.48 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -176.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.69 -20.3 61.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.318 0.58 . . . . 0.0 109.559 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.5 t -66.38 -35.73 81.06 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.23 178.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.2 t -128.53 12.08 6.36 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -173.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.498 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 14.7 p -68.03 -34.16 65.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 O-C-N 122.294 -0.254 . . . . 0.0 111.141 -177.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.38 -48.24 82.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.092 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.3 -46.35 90.18 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.676 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.5 ' O ' HG21 ' A' ' 34' ' ' VAL . 61.5 t90 -55.26 -47.0 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.954 -178.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 27' ' ' VAL . 86.6 mt -58.43 -45.82 89.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.965 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -68.65 -36.59 78.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.542 0.687 . . . . 0.0 111.09 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -67.12 -45.74 76.23 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.268 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.5 HG21 ' O ' ' A' ' 30' ' ' TRP . 18.6 m -89.8 -37.1 9.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.213 -177.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.16 -53.89 4.91 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 121.078 -0.582 . . . . 0.0 111.816 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -124.4 133.03 53.52 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -177.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.56 -179.84 42.37 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.346 -0.93 . . . . 0.0 112.621 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 15.3 m -133.93 136.66 53.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.04 0.448 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.414 ' N ' HD12 ' A' ' 39' ' ' ILE . 3.9 mp -105.22 119.04 53.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.452 177.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.627 HD13 HG22 ' A' ' 58' ' ' ILE . 82.3 mt -83.53 124.84 31.15 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 176.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.6 mt -75.32 -164.81 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.946 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.512 ' HB3' ' HB3' ' A' ' 80' ' ' SER . 81.2 p . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.989 -173.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.477 HG22 ' HG3' ' A' ' 57' ' ' MET . 28.2 m . . . . . 0 CA--C 1.534 0.353 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.477 ' HG3' HG22 ' A' ' 56' ' ' VAL . 64.4 mtt -113.0 7.74 18.22 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -177.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.627 HG22 HD13 ' A' ' 40' ' ' LEU . 8.2 tp -81.79 -20.68 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.995 0.426 . . . . 0.0 110.509 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.07 -52.78 53.75 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.36 -176.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -60.76 -29.92 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.159 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.665 HD11 HD22 ' A' ' 116' ' ' LEU . 5.7 tt -70.99 -56.91 5.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.461 0.648 . . . . 0.0 110.18 178.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -64.2 -22.5 66.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.051 -171.782 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -85.94 9.3 17.33 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.501 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -87.22 -2.86 58.93 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.281 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -105.91 91.1 4.96 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.145 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.501 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 83.8 Cg_endo -85.36 2.45 7.78 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.635 2.223 . . . . 0.0 112.892 -176.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -58.66 -73.58 0.08 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.026 0.441 . . . . 0.0 110.917 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.424 ' HE2' ' CZ2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -100.85 177.43 4.97 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.403 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -100.19 102.9 14.32 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.424 ' CZ2' ' HE2' ' A' ' 68' ' ' PHE . 51.4 m95 -81.65 148.34 29.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.198 -175.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.455 ' HG3' ' HB ' ' A' ' 34' ' ' VAL . 45.2 mm-40 -117.17 134.26 54.99 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.078 176.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.3 t -109.7 122.8 64.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -132.61 158.43 42.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.756 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.6 m -118.81 154.92 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.783 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.416 ' CB ' HD13 ' A' ' 83' ' ' ILE . . . -85.85 19.3 2.58 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -173.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.492 ' HB3' ' OE1' ' A' ' 79' ' ' GLN . 36.3 t0 64.16 -93.45 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.222 0.609 . . . . 0.0 110.989 178.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.556 ' HG ' ' N ' ' A' ' 78' ' ' GLU . 2.5 pt? -154.03 -64.27 0.14 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 122.022 -0.424 . . . . 0.0 111.707 175.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.556 ' N ' ' HG ' ' A' ' 77' ' ' LEU . 25.9 tt0 -76.68 -35.29 58.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.792 0.806 . . . . 0.0 110.151 -174.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.492 ' OE1' ' HB3' ' A' ' 76' ' ' ASP . 21.0 mp0 -63.54 -24.32 67.76 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.312 -176.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.512 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 15.2 m -49.62 -48.01 49.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.572 -178.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -68.52 -39.75 81.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.016 0.436 . . . . 0.0 110.178 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.17 -33.94 76.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.414 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 79' ' ' GLN . 46.0 mt -65.68 -45.75 91.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.652 0.263 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.97 -33.89 88.43 Favored Glycine 0 CA--C 1.518 0.221 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.619 177.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -69.39 -42.23 75.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.898 0.38 . . . . 0.0 110.548 177.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -54.51 -43.33 71.76 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.572 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -93.2 -2.59 55.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.819 -177.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 56.21 40.74 29.94 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.193 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.492 ' O ' ' HB2' ' A' ' 90' ' ' ARG . 9.5 p -95.57 11.97 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.281 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.492 ' HB2' ' O ' ' A' ' 89' ' ' VAL . 65.8 mtp180 77.49 -178.95 0.13 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.758 -176.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.89 90.79 3.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.082 -174.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -163.73 159.67 17.32 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.97 175.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.42 122.29 11.08 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.574 2.182 . . . . 0.0 112.241 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -156.48 169.06 25.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.306 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.704 ' HB ' HD23 ' A' ' 107' ' ' LEU . 29.9 m -115.8 130.8 56.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.519 174.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.421 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.5 mm? -90.97 126.06 35.97 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.964 -0.295 . . . . 0.0 110.311 -177.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.8 t -97.56 111.0 26.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.471 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -118.63 124.73 48.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.136 0.493 . . . . 0.0 111.486 178.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 41.6 p -140.94 136.35 32.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.773 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 62.99 19.71 11.81 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.39 0.431 . . . . 0.0 110.935 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 70.89 20.97 78.06 Favored Glycine 0 CA--C 1.522 0.524 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.284 -173.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -115.6 146.33 41.87 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 63.7 tp -85.84 109.28 18.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -83.9 -28.93 27.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.076 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 154.76 -160.69 29.81 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.734 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 95' ' ' THR . . . -141.87 151.92 43.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.805 0.336 . . . . 0.0 110.992 -178.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.704 HD23 ' HB ' ' A' ' 95' ' ' THR . 3.5 mm? . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.432 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 . . . . . 0 N--CA 1.463 0.207 0 CA-C-O 121.225 0.536 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.665 HD22 HD11 ' A' ' 61' ' ' LEU . 9.7 tt -53.62 -45.35 70.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.46 -178.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.1 -37.15 71.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.153 -173.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.6 m -82.82 -50.76 8.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.644 0.259 . . . . 0.0 110.968 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.474 ' O ' HG13 ' A' ' 123' ' ' ILE . 3.7 mm? -59.91 -40.32 88.43 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.535 -177.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.518 ' O ' HG22 ' A' ' 124' ' ' VAL . 15.2 tpt -57.51 -38.11 74.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.835 0.35 . . . . 0.0 110.609 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 40.7 mtt85 -66.63 -40.13 88.59 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.339 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.9 m -67.42 -34.43 77.21 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-O 121.043 0.449 . . . . 0.0 111.111 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 119' ' ' LEU . 70.8 mt -68.72 -43.18 83.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 120' ' ' MET . 33.3 m -94.88 19.94 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.413 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.269 179.833 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 . . . . . 0 C--O 1.233 0.22 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.49 ' HG3' HD23 ' A' ' 14' ' ' LEU . 19.2 ptt180 -62.99 -31.57 72.72 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.552 -176.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.49 HD23 ' HG3' ' A' ' 13' ' ' ARG . 3.8 mm? -70.13 -40.67 74.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.789 0.328 . . . . 0.0 110.461 176.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.03 -33.3 75.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.158 0.504 . . . . 0.0 110.129 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.7 m -62.54 -25.85 68.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.29 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -71.83 -6.94 45.27 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.994 0.426 . . . . 0.0 110.741 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.6 25.03 3.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.772 . . . . 0.0 113.038 173.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 39.3 m0 -100.65 144.36 29.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.013 0.435 . . . . 0.0 110.902 -178.094 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -109.4 125.1 32.13 Favored Pre-proline 0 N--CA 1.447 -0.615 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.005 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -77.01 115.6 4.04 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.227 1.951 . . . . 0.0 111.253 173.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.0 m -112.21 153.98 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.958 0.408 . . . . 0.0 111.44 -175.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -101.06 -174.61 2.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.785 -177.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.17 -48.21 71.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.925 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.3 p -89.35 -35.93 15.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.994 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.9 m -64.74 -26.96 68.58 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.664 -177.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 31' ' ' ILE . 8.3 p -68.78 -29.79 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.765 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -65.03 -37.32 87.22 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.149 0.5 . . . . 0.0 110.233 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -72.95 -38.77 66.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.949 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.423 ' O ' HG21 ' A' ' 34' ' ' VAL . 84.1 t90 -58.71 -45.41 89.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.264 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 27' ' ' VAL . 90.4 mt -60.1 -45.8 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.094 178.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -27.95 67.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.823 0.344 . . . . 0.0 110.801 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -72.75 -47.26 48.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.565 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.423 HG21 ' O ' ' A' ' 30' ' ' TRP . 28.3 m -94.39 -38.79 9.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.404 -173.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.44 -52.33 4.65 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.806 -0.712 . . . . 0.0 111.954 -175.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -116.55 128.68 55.65 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.95 173.67 41.83 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 119.869 -1.157 . . . . 0.0 112.584 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.3 m -130.87 134.0 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.01 0.433 . . . . 0.0 110.812 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.04 127.63 64.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.513 ' HB2' HG13 ' A' ' 74' ' ' VAL . 66.5 mt -91.79 133.97 35.16 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 176.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 60.6 mt -82.27 173.88 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.821 0.344 . . . . 0.0 110.383 176.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 C--N 1.32 -0.695 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.622 -177.341 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.0 t . . . . . 0 N--CA 1.466 0.351 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.449 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 27.2 ttt -61.06 -28.31 68.98 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.742 0.306 . . . . 0.0 111.777 -175.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.0 tp -62.62 -18.24 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 121.125 0.488 . . . . 0.0 111.591 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.1 97.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.766 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 57' ' ' MET . 10.6 pt-20 -72.01 -28.24 63.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.809 0.338 . . . . 0.0 110.706 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.26 -54.1 34.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 174.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.7 tt -51.86 -45.43 64.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.596 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -69.19 -7.98 41.45 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.78 -20.61 45.85 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -128.2 54.73 14.2 Favored Pre-proline 0 CA--C 1.531 0.24 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.099 -175.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -81.89 43.3 1.49 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.15 1.9 . . . . 0.0 112.397 -173.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -88.44 -45.2 10.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.166 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.533 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 6.0 m-85 -100.22 171.1 8.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.679 -177.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -88.24 75.08 8.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.352 0.596 . . . . 0.0 109.422 177.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.533 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 90.5 m95 -68.7 145.94 53.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.43 -175.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -137.59 145.58 42.98 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.494 175.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.0 t -103.96 127.8 57.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.186 0.517 . . . . 0.0 111.433 -174.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.26 148.09 45.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.915 175.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.513 HG13 ' HB2' ' A' ' 40' ' ' LEU . 28.9 m -132.89 171.09 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.749 0.309 . . . . 0.0 110.954 -177.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.586 ' HB1' ' HG3' ' A' ' 79' ' ' GLN . . . -145.89 150.16 35.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.008 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.415 ' C ' HD13 ' A' ' 77' ' ' LEU . 1.2 p30 -86.92 -87.02 0.15 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -177.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.415 HD13 ' C ' ' A' ' 76' ' ' ASP . 7.6 mp -125.48 -76.45 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.929 -0.482 . . . . 0.0 112.026 -174.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -56.02 -54.03 49.79 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.397 0.618 . . . . 0.0 111.091 -175.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.586 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 2.5 pt20 -56.75 -42.19 78.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.479 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.8 m -53.53 -44.79 69.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.738 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -66.07 -46.9 76.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.663 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.28 92.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.024 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.15 -51.09 77.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.445 176.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.34 -44.96 97.39 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.76 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -56.89 -45.23 82.73 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.747 0.308 . . . . 0.0 110.979 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -62.1 -40.83 97.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.041 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -82.62 0.14 44.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.906 0.384 . . . . 0.0 110.422 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.445 HD21 ' N ' ' A' ' 88' ' ' ASN . 0.9 OUTLIER 70.94 21.62 4.92 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.253 176.505 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 62.7 t -128.14 100.52 6.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.096 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.416 ' HD3' ' N ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -127.43 24.79 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.107 0.479 . . . . 0.0 110.501 -178.148 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -135.67 133.02 37.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.058 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 35.9 m-85 74.09 141.92 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.409 0 O-C-N 124.233 0.958 . . . . 0.0 111.081 -178.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 92' ' ' PHE . 15.2 Cg_exo -67.43 114.65 3.34 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.069 1.846 . . . . 0.0 109.737 171.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -142.99 139.67 30.72 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.191 0.519 . . . . 0.0 111.532 -172.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.671 ' HB ' HD22 ' A' ' 107' ' ' LEU . 10.7 m -78.98 133.54 36.85 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.961 173.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -91.91 128.34 37.72 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 22.1 t -104.45 114.22 43.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.391 -174.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -118.19 139.34 51.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.928 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.3 142.72 24.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.456 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.4 t70 63.49 14.61 8.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.511 0.672 . . . . 0.0 111.179 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.72 5.38 89.9 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.175 -176.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -120.2 161.29 21.31 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.789 0.328 . . . . 0.0 110.576 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.5 tp -76.34 139.1 40.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.072 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -120.87 -37.24 3.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.28 178.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 171.28 -162.04 34.66 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.18 -1.009 . . . . 0.0 112.417 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -153.63 166.81 31.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.951 0.405 . . . . 0.0 110.781 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.671 HD22 ' HB ' ' A' ' 95' ' ' THR . 3.8 mm? . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.296 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 . . . . . 0 CA--C 1.52 -0.197 0 CA-C-O 120.972 0.415 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.0 tt -57.98 -48.14 80.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.691 176.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 69.4 mt -58.05 -46.69 84.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.473 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 59.4 m -61.09 -51.48 68.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.313 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.435 ' O ' HG13 ' A' ' 123' ' ' ILE . 97.2 mt -64.47 -47.09 80.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.717 0.294 . . . . 0.0 111.05 -178.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 14.8 tpt -63.47 -40.86 98.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.378 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.597 ' HA ' HG22 ' A' ' 124' ' ' VAL . 41.8 mtt180 -65.5 -36.67 84.54 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 177.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 25.0 t -60.66 -38.69 85.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.03 174.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 119' ' ' LEU . 84.0 mt -68.14 -47.88 76.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.187 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.597 HG22 ' HA ' ' A' ' 121' ' ' ARG . 26.1 m -77.79 4.2 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -175.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 N--CA 1.463 0.184 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.687 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.677 ' HG3' HD22 ' A' ' 14' ' ' LEU . 8.3 ptp180 -62.93 -29.29 70.68 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.574 -177.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.677 HD22 ' HG3' ' A' ' 13' ' ' ARG . 2.8 mm? -72.43 -31.09 65.19 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.108 0.48 . . . . 0.0 109.919 178.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.6 mt -66.15 -38.59 88.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.568 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.9 m -67.41 -27.12 66.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.952 177.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -76.39 -14.97 60.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.245 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.31 26.01 6.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.67 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -99.89 130.73 46.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.744 0.307 . . . . 0.0 110.424 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -101.42 122.58 47.55 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.621 -177.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 4.2 Cg_exo -75.33 114.64 4.04 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.871 2.381 . . . . 0.0 111.249 173.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.2 m -116.75 175.36 3.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.235 0.541 . . . . 0.0 112.143 -174.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.478 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 38.2 mt-10 -110.78 167.48 10.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.201 178.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.47 -21.39 64.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.349 0.595 . . . . 0.0 110.572 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.7 p -80.79 -62.22 1.73 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.999 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.5 t -73.09 -17.37 61.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.324 -172.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 31' ' ' ILE . 9.1 p -62.4 -31.29 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.81 0.338 . . . . 0.0 110.251 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -61.0 -49.13 78.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.416 0.627 . . . . 0.0 110.215 177.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -70.96 -35.88 72.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.435 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.451 ' O ' HG23 ' A' ' 34' ' ' VAL . 85.6 t90 -59.06 -49.92 76.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.68 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 27' ' ' VAL . 94.8 mt -60.62 -39.58 81.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.077 0.465 . . . . 0.0 110.681 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -71.06 -23.74 62.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.934 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.403 ' O ' ' HD3' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -77.15 -44.27 30.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.901 -179.667 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 30' ' ' TRP . 26.1 m -85.87 -45.0 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.783 -177.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.95 -18.36 27.2 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.728 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.486 ' OD2' ' HB2' ' A' ' 68' ' ' PHE . 28.0 t0 -142.13 155.93 45.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -176.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.517 ' HA2' ' HB3' ' A' ' 70' ' ' TRP . . . 129.53 -176.09 18.7 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 119.957 -1.116 . . . . 0.0 113.778 172.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.0 m -130.6 144.35 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.011 0.434 . . . . 0.0 111.108 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.545 HG13 ' HB3' ' A' ' 73' ' ' ALA . 2.6 mp -110.88 132.01 60.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.728 177.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.497 ' HB2' HG13 ' A' ' 74' ' ' VAL . 87.3 mt -108.4 134.17 51.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.861 0.363 . . . . 0.0 110.898 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.1 mt -93.73 153.68 18.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.333 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.155 179.696 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.474 ' C ' ' H ' ' A' ' 58' ' ' ILE . 26.9 m . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 65.2 mtm 71.38 -20.74 0.22 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.312 0.645 . . . . 0.0 112.097 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.474 ' H ' ' C ' ' A' ' 56' ' ' VAL . 8.7 tp -74.08 -30.87 28.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.262 -177.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.36 -45.84 36.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.974 0.416 . . . . 0.0 111.053 -176.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.669 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 1.7 pm0 -65.81 -28.15 68.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.135 177.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.556 HD12 HD23 ' A' ' 116' ' ' LEU . 1.6 tt -52.46 -47.51 66.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.444 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.28 -22.12 64.57 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -173.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.669 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 5.1 ptp180 -76.26 -2.94 33.87 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.366 -0.534 . . . . 0.0 111.094 -176.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -78.94 -10.56 59.85 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.135 0.493 . . . . 0.0 109.821 174.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -117.72 76.44 10.55 Favored Pre-proline 0 N--CA 1.452 -0.366 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.44 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -77.49 43.85 1.41 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.124 2.549 . . . . 0.0 112.457 -174.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -105.68 -67.5 0.92 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.962 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.486 ' HB2' ' OD2' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -95.49 176.81 6.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.937 -177.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -112.71 90.12 3.26 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 175.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.517 ' HB3' ' HA2' ' A' ' 37' ' ' GLY . 10.4 m95 -72.5 139.65 47.75 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.979 -173.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -101.39 166.91 10.5 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.1 t -129.09 125.39 62.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.979 0.419 . . . . 0.0 110.401 177.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.545 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -117.13 144.0 45.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.147 177.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.497 HG13 ' HB2' ' A' ' 40' ' ' LEU . 18.3 m -125.23 155.41 34.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.384 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.69 156.12 19.43 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.685 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -68.14 -105.34 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.674 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.1 mp -124.37 -66.95 0.95 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -59.15 -41.46 88.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.556 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.478 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 18.4 mp0 -54.3 -37.02 64.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.719 -179.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.5 m -64.16 -38.17 90.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.9 0.381 . . . . 0.0 110.701 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -74.23 -40.3 62.5 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.56 96.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.08 177.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 79' ' ' GLN . 67.5 mt -61.57 -47.38 93.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.179 175.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.82 -42.1 94.4 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.71 176.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -57.83 -45.44 86.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.963 0.411 . . . . 0.0 111.025 177.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -60.64 -36.11 77.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.881 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -106.24 5.32 29.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.724 0.297 . . . . 0.0 111.232 -175.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 62.17 34.38 16.23 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.329 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 44.0 t -93.91 143.66 11.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.042 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -69.08 160.88 30.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.626 0.25 . . . . 0.0 110.608 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.3 mtp-105 -74.43 78.29 1.9 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.515 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -147.3 160.84 38.35 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.569 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -62.31 114.63 2.43 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.846 1.697 . . . . 0.0 110.922 172.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -141.26 147.26 37.94 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.497 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.579 ' HB ' ' HB2' ' A' ' 107' ' ' LEU . 24.7 m -106.19 120.72 42.56 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.85 176.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -93.11 124.8 37.34 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.514 HG11 HG13 ' A' ' 124' ' ' VAL . 60.4 t -96.72 119.74 45.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.114 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -122.14 125.82 47.0 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -176.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.404 HG22 ' OD1' ' A' ' 36' ' ' ASP . 70.6 p -145.43 147.86 32.68 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 174.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 36.9 t70 65.61 19.26 11.44 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.84 0.829 . . . . 0.0 109.381 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 70.68 6.54 59.35 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.349 -174.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -115.05 158.16 22.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.077 0.465 . . . . 0.0 111.116 -176.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.7 tp -81.96 127.83 33.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.337 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.528 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 8.9 mmp_? -89.69 -42.71 11.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.144 177.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 173.99 170.83 37.8 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.741 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -112.96 140.26 47.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.788 0.327 . . . . 0.0 110.508 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.579 ' HB2' ' HB ' ' A' ' 95' ' ' THR . 4.2 mm? . . . . . 0 C--N 1.323 -0.587 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.506 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 CA--C 1.52 -0.178 0 CA-C-O 121.099 0.476 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.556 HD23 HD12 ' A' ' 61' ' ' LEU . 10.0 tt -54.8 -47.86 73.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.191 175.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.21 -51.55 68.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.589 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.1 m -53.65 -47.73 70.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.312 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 119' ' ' LEU . 4.4 mm? -72.45 -49.79 30.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.718 -178.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.42 ' O ' HG22 ' A' ' 124' ' ' VAL . 66.7 mtp -63.59 -27.67 69.41 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -62.73 -39.07 92.96 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.891 0.377 . . . . 0.0 110.487 175.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.4 t -72.91 -30.26 63.77 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.974 177.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.424 ' O ' ' HB3' ' A' ' 104' ' ' ARG . 46.9 mm -68.57 -47.59 76.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.705 176.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.514 HG13 HG11 ' A' ' 97' ' ' VAL . 18.8 m -88.36 17.28 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.969 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.4 t70 . . . . . 0 N--CA 1.464 0.271 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.547 -178.668 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 CA--C 1.533 0.304 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -56.66 -33.94 66.86 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 122.446 -0.159 . . . . 0.0 110.968 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -75.23 -44.0 48.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.145 0.498 . . . . 0.0 109.781 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.8 mt -59.78 -37.85 80.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.737 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -60.94 -29.54 69.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.945 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -80.16 -0.6 36.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.675 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.41 1.26 55.6 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 31.7 m0 -67.05 131.53 46.03 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -103.77 123.06 42.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.946 -171.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -73.28 126.75 11.31 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.897 2.398 . . . . 0.0 111.707 176.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.95 163.56 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.55 -177.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.54 ' HB2' HG23 ' A' ' 26' ' ' THR . 45.9 mt-10 -112.86 164.4 13.46 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.22 -27.65 65.66 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.096 0.474 . . . . 0.0 111.019 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 p -82.62 -16.51 48.13 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.371 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.54 HG23 ' HB2' ' A' ' 23' ' ' GLU . 12.6 t -129.73 0.73 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -176.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 31' ' ' ILE . 7.6 p -64.85 -44.81 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 121.322 -0.151 . . . . 0.0 111.161 -176.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.472 ' HA ' HD11 ' A' ' 31' ' ' ILE . 4.7 p-10 -64.2 -32.43 74.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.845 0.355 . . . . 0.0 110.898 -177.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.2 -41.33 86.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.372 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -67.03 -40.52 87.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.763 176.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.472 HD11 ' HA ' ' A' ' 28' ' ' ASP . 96.1 mt -59.43 -51.63 70.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.496 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -19.93 64.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 111.134 -178.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 -74.12 -46.17 44.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.158 0.504 . . . . 0.0 110.931 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.7 m -87.93 -35.02 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.884 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.41 -61.21 1.51 Allowed Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.147 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -120.66 131.75 54.74 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.767 0.318 . . . . 0.0 110.402 -174.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.86 179.6 45.54 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.914 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.6 m -130.23 134.86 61.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.189 0.519 . . . . 0.0 111.421 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.534 HG13 ' HB3' ' A' ' 73' ' ' ALA . 2.1 mp -109.06 127.84 65.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.724 177.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.0 mt -104.29 129.95 52.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.912 0.387 . . . . 0.0 110.625 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.8 mt -89.55 168.57 12.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.69 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 C--O 1.235 0.316 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.331 175.602 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.6 m . . . . . 0 C--O 1.233 0.225 0 CA-C-O 122.412 1.101 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.8 ptt? 174.94 -0.4 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 113.617 -1.629 . . . . 0.0 108.706 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.8 tp -72.56 -19.66 19.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.022 -174.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.63 -42.1 91.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.055 -176.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.428 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 10.1 pt-20 -73.1 -27.59 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 111.185 -177.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.549 HD21 HD22 ' A' ' 116' ' ' LEU . 2.4 tm? -59.59 -56.59 19.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.572 177.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 62' ' ' LEU . 3.6 mm? -66.1 -21.16 66.34 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -173.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.428 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 8.6 ptp180 -83.1 9.28 10.74 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.92 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -84.21 -5.3 59.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.3 0.571 . . . . 0.0 109.475 170.839 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -117.51 79.83 12.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.515 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.29 43.84 1.57 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.011 2.474 . . . . 0.0 113.312 -172.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -103.82 -43.56 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.223 0.535 . . . . 0.0 110.211 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -117.46 161.89 18.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.817 -176.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -95.71 92.92 6.81 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 171.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -71.1 143.1 50.74 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.316 -172.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -123.34 145.15 48.97 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.98 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.1 t -107.98 123.72 63.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.969 0.414 . . . . 0.0 110.734 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.534 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -117.57 147.17 43.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.241 177.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.8 m -119.67 143.05 32.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.038 0.447 . . . . 0.0 110.759 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' ' 79' ' ' GLN . . . -95.43 36.36 1.26 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.192 -178.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.6 t70 53.22 -106.27 0.29 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.759 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 98.2 mt -149.41 -56.53 0.19 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 176.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.52 -34.34 72.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.303 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' A' ' 75' ' ' ALA . 9.6 mm100 -67.02 -29.39 69.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.648 -178.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 44.9 m -58.87 -38.04 77.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.05 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.26 -49.28 74.65 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.325 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.38 -43.78 84.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.394 -178.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.401 HD13 ' CB ' ' A' ' 75' ' ' ALA . 54.3 mt -68.11 -39.24 81.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.399 -177.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.67 -37.24 92.03 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.997 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -77.36 -41.69 39.33 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.956 0.408 . . . . 0.0 110.315 176.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -53.57 -41.67 66.77 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.42 -177.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -107.66 6.75 28.07 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.591 -177.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 61.15 43.55 10.99 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.12 0.486 . . . . 0.0 111.056 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 90' ' ' ARG . 15.8 t -93.08 -0.19 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.193 -177.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.6 ' HA ' ' HE ' ' A' ' 90' ' ' ARG . 6.1 mmp_? 70.54 -176.64 0.2 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.648 -173.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -105.8 65.98 0.72 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.36 0.6 . . . . 0.0 110.036 178.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -138.15 138.45 23.14 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.89 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -59.67 114.87 2.25 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.392 2.061 . . . . 0.0 111.998 177.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -151.76 147.88 27.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.477 -177.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.0 m -81.72 128.06 33.58 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.661 176.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.12 124.42 35.33 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.858 178.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 47.5 t -96.83 104.12 15.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.165 -177.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.522 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 41.7 m-85 -106.65 133.78 50.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.59 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.01 145.8 25.09 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.43 -175.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 p30 56.15 15.07 1.7 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.743 0.817 . . . . 0.0 112.141 -177.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.43 -10.3 71.23 Favored Glycine 0 N--CA 1.442 -0.95 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.313 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.508 ' HB2' ' HZ1' ' A' ' 102' ' ' LYS . 10.2 mtmp? -116.21 168.93 9.68 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.544 -178.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.522 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 61.5 tp -89.89 134.45 34.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.729 -178.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.435 ' HD3' ' HA ' ' A' ' 104' ' ' ARG . 27.4 mmt180 -103.55 -24.79 13.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.271 177.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 155.09 178.36 29.28 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.447 176.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -105.06 148.5 26.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.323 -0.571 0 CA-C-O 121.257 0.551 . . . . 0.0 111.681 -176.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 N--CA 1.467 0.404 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.549 HD22 HD21 ' A' ' 61' ' ' LEU . 10.5 tt -55.19 -39.48 69.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.402 -177.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.85 -48.95 79.57 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.294 -177.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.5 m -60.51 -46.82 88.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.018 0.437 . . . . 0.0 111.08 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 119' ' ' LEU . 4.2 mm? -70.08 -49.51 50.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.793 -175.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.485 ' SD ' HD23 ' A' ' 116' ' ' LEU . 58.0 mtp -70.71 -27.56 64.07 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -176.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -65.11 -35.8 82.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.017 0.437 . . . . 0.0 111.256 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 t -66.54 -29.56 69.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.607 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.73 -38.41 78.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.968 -176.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 33.4 m -78.54 31.05 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -173.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 121.304 0.573 . . . . 0.0 110.127 175.969 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -65.52 -30.09 70.81 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.995 0.426 . . . . 0.0 110.56 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.3 mt -72.31 -45.59 59.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.282 178.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.64 -42.16 96.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.603 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.2 m -60.22 -25.28 65.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.097 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 ttm-85 -79.94 8.61 6.64 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.102 0.477 . . . . 0.0 110.885 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.24 22.35 25.06 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.108 173.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 45.0 m0 -100.83 131.87 46.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.965 0.412 . . . . 0.0 110.967 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.487 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 28.0 mp0 -91.57 133.67 30.72 Favored Pre-proline 0 N--CA 1.446 -0.655 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.902 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 6.3 Cg_exo -78.85 121.92 5.2 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 123.029 2.486 . . . . 0.0 111.562 175.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.7 m -111.35 155.98 12.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.102 0.477 . . . . 0.0 111.698 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -104.94 166.43 10.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.931 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.414 ' HA ' HG12 ' A' ' 83' ' ' ILE . . . -59.36 -42.34 91.34 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -176.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 p -90.17 -38.43 13.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.971 0.415 . . . . 0.0 111.49 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 m -72.26 -23.66 61.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.01 -174.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.55 ' O ' HG13 ' A' ' 31' ' ' ILE . 13.6 p -62.01 -31.89 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.423 0.154 . . . . 0.0 110.822 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.55 -51.54 69.42 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.188 0.518 . . . . 0.0 111.106 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.615 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 25.6 t70 -74.17 -28.26 61.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.126 0.489 . . . . 0.0 110.641 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -59.17 -43.05 92.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 172.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 27' ' ' VAL . 75.8 mt -59.05 -40.26 80.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.255 176.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.615 ' HB3' ' O ' ' A' ' 29' ' ' ASP . 1.4 tmmm? -51.67 -40.29 59.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.382 174.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -78.1 -46.48 20.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.407 -172.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.2 m -80.69 -40.74 19.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.97 -175.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.94 -51.38 4.07 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 111.657 -0.577 . . . . 0.0 111.657 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -123.56 147.04 47.66 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.1 -174.75 32.53 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.411 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 19.1 m -137.76 142.16 37.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.183 0.516 . . . . 0.0 111.372 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.539 HG13 ' HB1' ' A' ' 73' ' ' ALA . 3.5 mp -113.47 122.27 67.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.225 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.539 ' HB2' HG13 ' A' ' 74' ' ' VAL . 78.4 mt -87.43 119.38 27.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.1 mt -74.57 152.43 39.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.418 0.628 . . . . 0.0 110.987 177.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.562 ' HB2' ' CB ' ' A' ' 80' ' ' SER . 7.0 m . . . . . 0 C--N 1.312 -1.025 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.758 -176.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.233 0.232 0 CA-C-O 121.222 0.534 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.9 ttt -75.23 -2.84 29.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.511 -174.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.425 HG12 HD21 ' A' ' 40' ' ' LEU . 11.3 tp -69.84 -29.15 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.53 -32.41 72.34 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.964 176.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.01 -37.6 85.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.006 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.674 HD23 HD22 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -67.12 -45.35 77.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.229 179.794 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.68 -39.86 88.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.606 -176.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -74.69 -2.81 27.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.718 0.294 . . . . 0.0 111.435 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.451 ' C ' ' HD3' ' A' ' 66' ' ' PRO . 57.1 mm-40 -91.35 -7.05 52.0 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 175.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -122.42 70.36 34.14 Favored Pre-proline 0 C--O 1.235 0.295 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.446 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.451 ' HD3' ' C ' ' A' ' 64' ' ' GLU . 3.2 Cg_exo -80.96 54.27 5.17 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 123.391 2.727 . . . . 0.0 112.101 -175.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -117.63 -36.69 3.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.627 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 5.6 m-85 -106.9 161.54 14.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.144 -178.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -90.68 89.68 7.62 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.627 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 77.3 m95 -80.32 132.51 35.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.653 0.74 . . . . 0.0 112.29 -172.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -115.26 140.62 48.94 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.406 -1.27 . . . . 0.0 108.962 172.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.9 t -107.62 114.05 45.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.136 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.539 ' HB1' HG13 ' A' ' 39' ' ' ILE . . . -115.36 146.16 41.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.616 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.539 HG13 ' HB2' ' A' ' 40' ' ' LEU . 20.9 m -134.67 167.38 26.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.659 -178.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.38 166.16 20.08 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.561 ' CG ' ' H ' ' A' ' 77' ' ' LEU . 5.2 p-10 -70.64 -93.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -177.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.561 ' H ' ' CG ' ' A' ' 76' ' ' ASP . 98.1 mt -144.78 -44.44 0.24 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -78.02 -53.68 7.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.847 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.458 ' O ' HG13 ' A' ' 83' ' ' ILE . 1.7 mp0 -60.63 -28.76 68.8 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.616 178.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.562 ' CB ' ' HB2' ' A' ' 42' ' ' SER . 3.6 m -56.24 -45.28 80.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.618 178.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -65.7 -40.21 92.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.071 -178.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.72 -36.65 84.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.857 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 79' ' ' GLN . 69.6 mt -65.24 -46.76 89.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-O 120.937 0.399 . . . . 0.0 110.515 177.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.3 -37.23 93.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.983 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.71 -48.08 83.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.899 0.38 . . . . 0.0 111.012 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 -60.48 -38.14 83.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.718 -0.673 . . . . 0.0 112.102 -175.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -97.15 -1.38 45.23 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.24 -176.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 12.2 m120 61.91 64.17 1.04 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.504 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.4 p -67.16 159.46 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.573 173.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -67.37 -67.55 0.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.087 -178.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -164.68 -43.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.953 0.406 . . . . 0.0 111.381 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -101.48 157.93 32.73 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.405 -176.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -49.53 128.23 20.27 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.988 2.459 . . . . 0.0 112.444 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -138.15 161.98 35.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.493 -176.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.471 HG21 HD22 ' A' ' 40' ' ' LEU . 28.1 m -96.43 130.95 43.46 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.756 175.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.3 mm? -91.95 124.2 35.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.1 t -99.94 113.0 34.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.435 -177.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.506 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 34.4 m-85 -111.59 136.82 50.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.32 -178.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 80.6 p -150.09 152.58 35.01 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 176.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.4 p30 53.87 19.21 1.85 Allowed 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.734 0.647 . . . . 0.0 112.59 176.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.81 -6.96 81.83 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.957 -0.639 . . . . 0.0 113.042 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -116.33 147.53 41.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.671 0.736 . . . . 0.0 112.199 -177.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.506 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 63.9 tp -72.44 122.02 20.55 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.362 175.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.653 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -90.14 -36.71 14.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.457 -178.892 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 167.94 179.17 40.37 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.135 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -107.64 160.24 15.84 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 tm? . . . . . 0 C--N 1.324 -0.54 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -178.119 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 . . . . . 0 CA--C 1.523 -0.092 0 CA-C-O 120.994 0.426 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.674 HD22 HD23 ' A' ' 61' ' ' LEU . 7.3 tt -56.86 -50.24 73.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.428 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.567 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 4.3 mm? -53.81 -45.0 70.66 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.818 -177.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 21.0 m -63.92 -47.62 79.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.687 0.279 . . . . 0.0 111.384 -177.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.3 -44.49 52.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.33 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -35.92 78.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 110.129 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.567 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -59.09 -43.22 91.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.037 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.2 m -63.32 -30.92 71.97 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 121.211 0.529 . . . . 0.0 110.668 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 65.6 mt -69.52 -38.39 76.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.938 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 29.0 m -100.86 25.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.8 t70 . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 120.873 0.368 . . . . 0.0 110.387 179.282 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 . . . . . 0 CA--C 1.532 0.269 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.644 ' HG3' HD23 ' A' ' 14' ' ' LEU . 11.1 ptp180 -63.88 -29.74 70.9 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -177.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.644 HD23 ' HG3' ' A' ' 13' ' ' ARG . 3.9 mm? -75.31 -32.34 60.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.825 0.345 . . . . 0.0 110.397 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.8 mt -63.93 -30.92 71.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.252 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.7 m -59.93 -26.19 65.75 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.132 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -82.75 10.6 7.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.015 0.435 . . . . 0.0 110.834 -176.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.93 21.18 31.36 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.49 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 38.0 m0 -94.56 130.05 41.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.058 0.456 . . . . 0.0 110.557 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -93.11 122.71 62.85 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.043 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -77.5 115.73 3.95 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.317 2.011 . . . . 0.0 111.76 174.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.3 m -110.8 171.64 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.891 0.377 . . . . 0.0 111.324 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.454 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 45.9 mt-10 -111.44 170.41 8.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.94 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.514 ' HB1' ' HB3' ' A' ' 79' ' ' GLN . . . -72.36 -48.96 37.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.064 0.459 . . . . 0.0 110.95 -176.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.0 m -78.13 -30.06 49.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.07 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m -90.63 -13.02 35.16 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -172.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.454 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 11.8 p -62.01 -31.48 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.658 0.266 . . . . 0.0 110.9 -179.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -59.15 -47.79 84.0 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.232 0.539 . . . . 0.0 110.783 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -65.68 -40.71 92.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.991 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -59.51 -49.24 78.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.797 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 27' ' ' VAL . 92.7 mt -59.78 -42.46 88.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -25.69 68.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.184 0.516 . . . . 0.0 110.354 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -80.37 -46.21 16.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.024 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 m -82.49 -43.47 19.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.256 -175.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.82 -56.88 3.74 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.056 -0.592 . . . . 0.0 111.653 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.4 ' OD1' ' HA ' ' A' ' 99' ' ' THR . 51.4 m-20 -113.97 139.92 48.84 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.384 -0.408 . . . . 0.0 110.072 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.04 174.07 34.34 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.068 -1.063 . . . . 0.0 112.934 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 10.1 m -131.77 127.97 59.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.139 0.495 . . . . 0.0 110.709 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.463 HG13 ' HB2' ' A' ' 73' ' ' ALA . 4.1 mp -111.29 134.57 53.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.523 HD12 HG13 ' A' ' 74' ' ' VAL . 76.7 mt -87.37 129.01 35.19 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 177.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.514 ' HG ' HD21 ' A' ' 96' ' ' LEU . 24.0 mt -79.71 -170.48 2.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.412 0.625 . . . . 0.0 111.836 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.463 ' N ' ' HB2' ' A' ' 80' ' ' SER . 90.3 p . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.642 -176.162 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 121.786 0.803 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.7 ptp 168.96 -25.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 113.953 -1.476 . . . . 0.0 108.602 -174.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.6 tp -69.17 -28.71 40.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.602 -171.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.514 ' O ' ' HG3' ' A' ' 63' ' ' ARG . . . -67.96 -51.51 46.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 110.707 -178.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.441 ' HA ' ' HD2' ' A' ' 63' ' ' ARG . 7.7 pt-20 -70.61 -29.44 65.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.989 -178.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 61' ' ' LEU . 1.3 tm? -60.4 -56.95 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.358 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -64.0 -20.66 66.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.732 -178.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 59' ' ' ALA . 58.1 mtt180 -72.72 -5.69 39.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.339 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -84.65 -6.51 59.37 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.727 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -119.61 80.61 23.43 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -86.67 43.34 1.02 Allowed 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.846 2.364 . . . . 0.0 112.31 -175.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -110.08 -51.25 2.89 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.003 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.578 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 9.4 m-85 -94.41 165.51 12.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.536 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -102.09 82.62 2.24 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.578 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 61.2 m95 -70.38 147.87 49.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.479 -172.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -126.77 131.13 51.37 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 172.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.9 t -92.79 113.95 28.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.463 ' HB2' HG13 ' A' ' 39' ' ' ILE . . . -114.31 140.46 48.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.91 -178.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.523 HG13 HD12 ' A' ' 40' ' ' LEU . 16.0 m -118.69 142.83 31.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.292 178.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.5 151.11 31.95 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.672 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.824 ' HB3' ' HG2' ' A' ' 79' ' ' GLN . 2.9 t70 -53.87 147.66 11.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.535 175.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.42 -32.83 71.72 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -174.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -79.74 -43.27 22.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.998 0.428 . . . . 0.0 110.264 176.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.824 ' HG2' ' HB3' ' A' ' 76' ' ' ASP . 11.2 mm-40 -64.21 -34.83 78.99 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.323 -176.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.463 ' HB2' ' N ' ' A' ' 42' ' ' SER . 2.6 p -62.04 -26.98 68.57 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.891 0.701 . . . . 0.0 112.891 -174.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.8 -43.37 88.91 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.154 0.502 . . . . 0.0 109.664 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.8 -34.58 78.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.131 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.5 mt -68.52 -44.18 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.379 177.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.2 -33.0 86.04 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.562 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -70.96 -48.12 55.17 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.33 0.252 . . . . 0.0 111.084 177.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.637 ' HA ' ' NE ' ' A' ' 86' ' ' ARG . 1.0 OUTLIER -52.67 -47.03 67.43 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.092 -177.094 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -88.94 -0.82 57.74 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.361 -177.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.428 ' N ' HD21 ' A' ' 88' ' ' ASN . 0.9 OUTLIER 57.8 36.4 26.41 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.428 0.455 . . . . 0.0 110.378 -178.688 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.3 t -61.07 -69.41 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.62 -175.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.429 ' HA ' ' HD2' ' A' ' 90' ' ' ARG . 5.9 tpt180 177.89 -158.45 0.02 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.205 176.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -123.9 29.25 6.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.759 0.314 . . . . 0.0 111.132 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -138.57 158.05 71.06 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -61.93 123.62 12.95 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.875 2.384 . . . . 0.0 112.474 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.476 ' HB2' ' HB1' ' A' ' 106' ' ' ALA . . . -151.45 159.88 43.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.638 -179.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.4 m -99.03 136.84 38.41 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.514 HD21 ' HG ' ' A' ' 41' ' ' LEU . 3.0 mm? -91.68 125.27 36.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.838 0.352 . . . . 0.0 110.561 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.6 t -95.06 100.06 10.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.065 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.459 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 25.3 m-85 -103.81 136.35 43.65 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.368 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.4 ' HA ' ' OD1' ' A' ' 36' ' ' ASP . 0.2 OUTLIER -150.73 136.92 18.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.978 -178.232 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 57.58 17.13 3.76 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.955 0.902 . . . . 0.0 111.943 -178.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.77 -11.54 70.92 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.249 -176.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.11 148.72 29.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.378 0.608 . . . . 0.0 112.267 -179.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.459 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 65.6 tp -82.99 136.1 34.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.349 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.6 mmt-85 -100.12 -39.34 8.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.847 176.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 165.51 -166.91 38.69 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.088 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.476 ' HB1' ' HB2' ' A' ' 94' ' ' ALA . . . -111.92 156.26 22.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.673 0.273 . . . . 0.0 110.919 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.924 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 . . . . . 0 CA--C 1.523 -0.079 0 CA-C-O 120.701 0.286 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.3 tt -56.41 -41.67 76.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.117 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.23 -56.97 15.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.483 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 27.8 m -63.79 -39.92 95.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.486 -178.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.403 ' O ' HG12 ' A' ' 123' ' ' ILE . 2.0 tm? -65.51 -51.35 60.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.729 0.3 . . . . 0.0 110.353 -176.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 27.3 ttt -69.07 -36.42 77.62 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.039 -177.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -63.61 -35.54 80.87 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.685 0.279 . . . . 0.0 111.222 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.0 t -66.42 -30.17 70.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.033 0.444 . . . . 0.0 110.512 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 119' ' ' LEU . 51.8 mm -79.36 -47.45 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 26.7 m -83.33 5.86 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.456 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 37.9 t70 . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 121.014 0.435 . . . . 0.0 110.407 178.893 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 CA--C 1.531 0.243 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.454 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 34.1 mmt180 -73.07 -31.63 64.51 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -177.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.586 HD22 ' CZ3' ' A' ' 19' ' ' TRP . 77.9 mt -68.99 -30.43 68.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.177 0.513 . . . . 0.0 109.956 177.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.471 HD23 ' HG3' ' A' ' 21' ' ' PRO . 77.2 mt -63.14 -43.37 98.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.745 173.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 m -69.69 -26.64 64.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.969 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -70.95 -24.78 62.49 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.598 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.47 27.14 4.54 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.205 173.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.586 ' CZ3' HD22 ' A' ' 14' ' ' LEU . 52.2 m0 -99.43 144.05 28.98 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.747 0.308 . . . . 0.0 110.694 177.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -82.16 123.37 79.56 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.115 -174.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.471 ' HG3' HD23 ' A' ' 15' ' ' LEU . 2.8 Cg_exo -74.97 107.73 2.55 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.876 2.384 . . . . 0.0 111.062 175.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.8 m -109.65 156.19 10.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.33 0.586 . . . . 0.0 112.251 -174.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.449 ' HB2' HG22 ' A' ' 26' ' ' THR . 26.6 mt-10 -111.37 165.27 12.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.069 -0.969 . . . . 0.0 108.811 176.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.37 -27.81 68.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.099 0.476 . . . . 0.0 111.114 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.8 p -76.8 -58.45 3.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.219 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.449 HG22 ' HB2' ' A' ' 23' ' ' GLU . 10.0 t -76.21 -20.22 57.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.3 -173.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.2 p -59.77 -37.54 71.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 121.024 -0.271 . . . . 0.0 111.262 -176.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.68 -45.51 92.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.124 0.488 . . . . 0.0 110.335 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.91 -38.46 76.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.447 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -59.53 -48.7 80.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.689 177.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.1 mt -61.88 -43.13 96.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.421 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -60.2 -30.21 69.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.284 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 33' ' ' ARG . 20.2 ttt180 -80.39 -46.57 15.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.578 -176.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.4 m -82.64 -34.07 11.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.055 0.455 . . . . 0.0 111.283 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.54 -55.28 4.98 Favored Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 111.674 -0.571 . . . . 0.0 111.674 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -120.83 133.41 55.31 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -175.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.92 177.88 39.51 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.268 -0.968 . . . . 0.0 112.482 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 29.4 m -130.03 140.49 48.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.144 0.497 . . . . 0.0 110.927 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.517 HG13 ' HB2' ' A' ' 73' ' ' ALA . 3.4 mp -113.89 127.66 71.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.922 178.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.7 mt -102.9 130.16 49.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.695 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.0 mt -82.48 159.2 22.94 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.149 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 121.092 0.472 . . . . 0.0 110.31 -179.118 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.2 t . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 121.118 0.485 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 86.0 mtp -88.86 11.04 19.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.867 -174.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.4 tp -82.57 -14.67 12.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.174 0.511 . . . . 0.0 110.184 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.04 -52.52 14.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.146 -173.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -63.37 -28.63 70.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 111.44 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.523 HD21 HD23 ' A' ' 116' ' ' LEU . 2.4 tm? -56.12 -56.59 18.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.805 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.73 -22.65 65.55 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.164 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -72.84 -11.64 60.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.575 0.226 . . . . 0.0 111.018 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -89.21 -12.48 40.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.87 0.367 . . . . 0.0 110.458 -175.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -117.68 76.81 10.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.351 . . . . 0.0 110.623 178.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -87.55 43.52 0.91 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.673 2.249 . . . . 0.0 112.004 -176.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -96.74 -41.57 8.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.065 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -117.57 178.89 4.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.047 -177.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -104.33 105.5 15.66 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 172.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 36.1 m95 -94.4 143.45 26.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.142 -175.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -118.05 156.71 28.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.127 171.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.2 t -117.67 125.67 74.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.041 0.448 . . . . 0.0 110.252 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.517 ' HB2' HG13 ' A' ' 39' ' ' ILE . . . -118.55 153.88 33.48 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.37 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.7 m -129.52 146.21 34.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.077 0.465 . . . . 0.0 111.806 -178.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.56 129.44 49.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.154 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.479 ' OD2' ' HG ' ' A' ' 77' ' ' LEU . 21.3 t70 -46.96 -84.9 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 O-C-N 124.002 0.814 . . . . 0.0 112.614 -176.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.479 ' HG ' ' OD2' ' A' ' 76' ' ' ASP . 4.0 pp -165.05 -41.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 173.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -68.98 -42.45 76.55 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 171.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -62.79 -32.83 74.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.532 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.7 m -61.37 -36.28 79.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.524 0.202 . . . . 0.0 111.091 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.46 -49.73 74.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.246 0.546 . . . . 0.0 110.189 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.93 69.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.424 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.7 mt -61.88 -45.46 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.144 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.81 -43.75 98.84 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.123 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -66.49 -42.25 87.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.921 0.391 . . . . 0.0 110.973 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.0 tpt85 -61.7 -38.47 87.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.835 -177.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -93.21 0.8 57.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.195 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 60.75 36.23 19.38 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.071 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.6 p -95.42 27.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.53 0.681 . . . . 0.0 110.342 -176.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.421 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 12.5 mmt85 66.5 -153.39 0.23 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.796 -177.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -127.19 56.69 1.51 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.915 0.388 . . . . 0.0 110.711 -177.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.421 ' CE2' ' HB2' ' A' ' 90' ' ' ARG . 54.5 p90 -144.24 154.43 57.41 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 176.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -63.01 116.67 3.71 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.27 1.98 . . . . 0.0 112.467 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.56 144.81 32.1 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.639 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.401 ' HB ' ' HB3' ' A' ' 107' ' ' LEU . 17.0 m -76.85 126.65 31.34 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.3 mm? -91.33 123.86 35.09 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 176.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 47.0 t -102.44 105.37 17.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.474 -176.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.505 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 41.3 m-85 -107.9 137.73 45.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.336 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.4 133.76 17.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.653 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.3 t70 65.31 15.11 9.84 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.689 0.757 . . . . 0.0 110.72 -176.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.34 0.43 88.42 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.101 -177.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . 0.561 ' HD3' ' N ' ' A' ' 103' ' ' LEU . 12.7 tmtt? -112.03 144.63 41.07 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -177.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.561 ' N ' ' HD3' ' A' ' 102' ' ' LYS . 58.0 tp -78.98 110.5 14.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.539 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -77.98 -38.34 45.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.501 178.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 170.42 -173.74 44.36 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.089 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -117.83 166.12 12.85 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.753 HD13 ' HG ' ' A' ' 116' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.557 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -177.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 . . . . . 0 N--CA 1.463 0.196 0 CA-C-O 121.074 0.464 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.753 ' HG ' HD13 ' A' ' 107' ' ' LEU . 6.5 tt -55.84 -45.59 78.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.734 -179.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.603 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 3.4 mm? -58.28 -46.44 86.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.575 -176.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.5 m -70.12 -39.36 75.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.324 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -70.96 -50.81 30.46 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.876 0.37 . . . . 0.0 110.636 -176.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.493 ' SD ' HD13 ' A' ' 61' ' ' LEU . 28.3 ttt -70.08 -22.78 63.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.834 -177.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.603 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 39.2 ttt180 -55.56 -43.97 76.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.593 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 36.4 t -75.47 -29.92 59.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.72 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 47.7 mm -62.9 -48.31 88.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.966 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 35.6 m -95.33 13.92 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.695 -176.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.209 -176.546 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.726 0.298 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -61.79 -28.22 69.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.404 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.434 HD21 ' CZ3' ' A' ' 19' ' ' TRP . 69.3 mt -73.46 -45.83 51.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 176.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.36 -47.17 80.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.011 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.7 m -59.9 -25.74 65.34 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.108 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . 0.482 ' HD2' ' CZ2' ' A' ' 19' ' ' TRP . 7.5 ttm180 -70.34 -11.88 61.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.372 -179.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.26 29.39 4.54 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.159 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.493 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 33.9 m0 -107.55 144.27 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.83 0.347 . . . . 0.0 110.773 -178.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -107.35 133.44 20.36 Favored Pre-proline 0 N--CA 1.448 -0.562 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -75.86 123.59 7.5 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.342 2.028 . . . . 0.0 111.476 174.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.1 m -111.08 158.19 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.196 0.522 . . . . 0.0 111.689 -177.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -114.78 168.95 9.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.621 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.98 -36.59 83.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.937 0.398 . . . . 0.0 111.033 -177.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.8 p -100.1 4.35 44.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.393 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.3 m -116.83 -20.14 9.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.828 0.347 . . . . 0.0 110.971 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 31' ' ' ILE . 11.4 p -61.56 -36.78 75.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.485 -176.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.411 ' HA ' HD12 ' A' ' 31' ' ' ILE . 7.4 p-10 -66.26 -29.31 69.52 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.076 0.465 . . . . 0.0 110.641 -178.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -74.55 -38.97 62.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.013 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -65.42 -43.31 90.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.347 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 27' ' ' VAL . 84.9 mt -56.28 -46.63 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.713 177.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.431 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -63.98 -27.59 69.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.092 178.712 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -44.06 25.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.921 -176.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.2 m -86.31 -42.72 15.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.65 -54.07 4.36 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.447 -176.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -124.94 141.25 52.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.89 -178.49 39.3 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.565 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.0 m -131.99 139.76 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.035 0.445 . . . . 0.0 110.933 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.43 HG13 ' HB2' ' A' ' 73' ' ' ALA . 3.3 mp -109.8 124.92 66.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.055 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.7 mt -101.49 121.57 42.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.492 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.2 mt -76.79 159.45 30.1 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.555 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 10.4 t . . . . . 0 C--N 1.329 -0.316 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 178.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.414 ' HA ' HH12 ' A' ' 17' ' ' ARG . 7.2 p . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 121.3 0.571 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 66.0 mtm -110.85 4.99 20.25 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.124 -175.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.1 tp -81.52 -20.49 10.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.039 0.447 . . . . 0.0 110.751 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.492 ' O ' ' HG ' ' A' ' 62' ' ' LEU . . . -69.28 -49.39 56.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.123 -176.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -59.81 -29.91 68.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.305 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.886 HD13 ' HG3' ' A' ' 120' ' ' MET . 2.4 tm? -69.31 -57.49 5.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.151 178.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 4.0 pp -61.98 -36.18 80.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.786 -175.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -73.96 2.61 8.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.729 -176.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -91.09 -13.94 32.17 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.519 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -115.23 82.72 9.39 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.897 -178.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -86.38 43.14 1.03 Allowed 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.726 2.284 . . . . 0.0 112.208 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -101.21 -44.72 5.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.597 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.472 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 4.2 m-85 -108.94 171.43 7.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.632 178.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -99.77 93.14 5.65 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 173.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.472 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 36.7 m95 -82.14 137.11 35.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.151 -174.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -121.52 148.22 44.76 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.345 170.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.493 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 28.3 t -108.22 131.57 58.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 120.922 0.391 . . . . 0.0 110.332 -178.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.43 ' HB2' HG13 ' A' ' 39' ' ' ILE . . . -114.82 147.69 39.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.123 177.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.0 m -118.7 137.38 52.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.982 0.42 . . . . 0.0 110.773 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.457 ' HB2' HD11 ' A' ' 83' ' ' ILE . . . -87.69 17.66 4.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.243 -178.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.443 ' HB3' HE21 ' A' ' 79' ' ' GLN . 25.2 t70 61.12 -107.44 0.29 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.669 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.555 ' HA ' ' HB2' ' A' ' 42' ' ' SER . 5.3 mp -148.71 -58.05 0.22 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 176.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -61.29 -50.31 73.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.342 -177.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.47 ' NE2' ' H ' ' A' ' 79' ' ' GLN . 2.2 mp0 -67.35 -23.75 65.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.987 -176.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.3 m -54.37 -39.95 67.68 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -175.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -68.88 -40.53 79.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.88 0.371 . . . . 0.0 110.329 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.54 -41.74 79.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.865 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.457 HD11 ' HB2' ' A' ' 75' ' ' ALA . 65.2 mt -67.14 -40.61 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.428 178.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.74 -38.15 95.99 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.919 -0.657 . . . . 0.0 111.524 174.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -63.29 -37.79 88.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.225 0.536 . . . . 0.0 110.602 175.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -67.38 -35.32 79.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.303 -177.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -98.68 -2.13 39.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.623 0.249 . . . . 0.0 111.221 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 66.5 27.64 9.68 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.159 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.9 t -128.43 112.68 27.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.635 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.415 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 13.4 ptt180 -156.32 -165.95 2.03 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.825 -0.171 . . . . 0.0 111.337 -175.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 90' ' ' ARG . 52.2 ttp180 74.62 -50.6 0.67 Allowed 'General case' 0 N--CA 1.47 0.527 0 O-C-N 124.037 0.836 . . . . 0.0 110.771 -177.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -114.54 123.78 31.7 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 175.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.66 122.48 11.83 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 122.512 2.142 . . . . 0.0 111.492 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -138.28 153.89 49.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.188 -173.112 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.6 m -84.36 126.74 33.5 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.195 175.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.427 ' HB2' ' HB ' ' A' ' 39' ' ' ILE . 3.6 mm? -92.35 124.56 36.5 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 173.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.557 HG13 HG22 ' A' ' 123' ' ' ILE . 28.0 t -102.72 117.52 48.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.092 0.472 . . . . 0.0 110.889 -175.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 23.9 m-85 -114.99 135.86 53.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.337 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.32 138.01 19.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.492 176.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 61.99 23.94 14.18 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.339 0.399 . . . . 0.0 110.643 -176.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.41 15.63 75.16 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.161 -175.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -118.6 144.96 45.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.868 0.366 . . . . 0.0 110.696 -178.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.4 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 58.8 tp -86.02 122.42 30.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.919 177.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -86.58 -31.55 21.14 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 147.75 -168.69 28.65 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.581 178.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.33 168.46 9.14 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.537 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 179.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 CA--C 1.524 -0.034 0 CA-C-O 120.865 0.364 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.93 -39.75 78.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.435 -177.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.94 -50.83 70.57 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.1 m -57.38 -50.17 73.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.143 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.16 -49.58 76.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.134 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.886 ' HG3' HD13 ' A' ' 61' ' ' LEU . 11.7 mmt -58.97 -39.87 83.06 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.405 ' HD3' ' HA ' ' A' ' 121' ' ' ARG . 25.1 mmt180 -64.33 -39.97 94.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.059 0.457 . . . . 0.0 111.007 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.7 t -65.36 -30.4 71.23 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.648 176.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.557 HG22 HG13 ' A' ' 97' ' ' VAL . 81.5 mt -78.07 -47.21 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.373 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 32.9 m -75.1 0.16 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.018 0.437 . . . . 0.0 111.329 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 35.9 t70 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.597 175.139 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 . . . . . 0 N--CA 1.465 0.308 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.661 ' HG3' HD23 ' A' ' 14' ' ' LEU . 26.2 ptt180 -58.69 -29.57 66.74 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.503 0.192 . . . . 0.0 111.404 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.661 HD23 ' HG3' ' A' ' 13' ' ' ARG . 3.2 mm? -74.36 -32.71 62.87 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.109 0.481 . . . . 0.0 110.203 178.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 19' ' ' TRP . 20.7 mt -69.28 -35.28 75.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.954 -177.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.7 m -61.86 -25.32 67.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.453 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -76.43 -4.36 42.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.943 0.401 . . . . 0.0 110.801 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.91 10.58 39.71 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.932 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.55 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 42.2 m0 -96.54 131.82 42.77 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.855 0.359 . . . . 0.0 110.502 -177.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -80.79 134.67 53.19 Favored Pre-proline 0 N--CA 1.449 -0.505 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.397 -175.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -79.31 100.98 1.37 Allowed 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.559 2.173 . . . . 0.0 111.557 176.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.0 m -99.78 163.44 2.85 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.821 0 CA-C-O 121.963 0.887 . . . . 0.0 111.797 -177.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.35 -164.17 1.0 Allowed 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 114.091 -1.413 . . . . 0.0 109.986 -172.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.11 -29.98 20.2 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.272 0.558 . . . . 0.0 110.099 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.0 t -95.65 -49.86 5.19 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.094 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.8 p -71.64 -13.75 61.85 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -173.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.16 -30.47 48.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 120.777 0.322 . . . . 0.0 110.74 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -67.96 -45.93 72.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.127 0.489 . . . . 0.0 109.889 -179.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.2 -37.03 77.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.545 -178.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.416 ' O ' HG23 ' A' ' 34' ' ' VAL . 90.5 t90 -55.97 -49.8 72.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.673 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.0 mt -60.1 -45.5 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.636 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -58.39 -37.25 74.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.027 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.2 ttt-85 -75.61 -46.12 33.55 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.57 -173.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 30' ' ' TRP . 33.3 m -85.73 -37.06 11.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.019 -174.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.73 -53.67 4.73 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.049 -0.596 . . . . 0.0 111.903 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -115.43 123.7 49.27 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -178.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.18 173.49 41.88 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.479 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 13.6 m -132.58 139.58 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.963 0.411 . . . . 0.0 110.998 -179.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.6 mp -104.47 125.46 59.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.905 177.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.486 ' HB2' HG11 ' A' ' 74' ' ' VAL . 23.5 mt -102.12 128.2 48.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.416 176.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.4 mt -81.44 154.1 26.55 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 173.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.41 ' CB ' ' HA ' ' A' ' 77' ' ' LEU . 48.3 t . . . . . 0 C--N 1.324 -0.54 0 O-C-N 123.481 0.488 . . . . 0.0 110.687 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.3 t . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 121.456 0.646 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.3 tpt -80.92 -23.48 38.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.144 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.1 tt -67.0 -18.8 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.095 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.31 -46.21 91.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.988 0.423 . . . . 0.0 110.433 177.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -64.16 -30.88 71.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.46 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.38 -57.36 13.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.222 0.534 . . . . 0.0 110.035 179.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.6 mt -68.39 -27.38 66.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.739 -176.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -67.87 -13.24 61.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.601 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -82.71 -9.55 59.31 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -117.75 81.42 15.11 Favored Pre-proline 0 N--CA 1.452 -0.327 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.0 176.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -83.79 13.71 2.61 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.973 2.448 . . . . 0.0 112.037 -177.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -67.32 -43.13 82.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.113 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.72 166.91 15.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.739 -178.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -92.75 100.48 12.96 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 168.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -76.33 148.85 37.18 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.54 -172.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.3 133.28 54.17 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.138 175.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.55 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 17.0 t -104.43 126.03 59.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.77 134.7 54.16 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.067 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.486 HG11 ' HB2' ' A' ' 40' ' ' LEU . 6.2 m -118.63 149.71 21.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.666 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.499 ' HB1' ' HB3' ' A' ' 79' ' ' GLN . . . -119.84 146.55 45.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.917 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.32 160.34 5.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.708 175.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.41 ' HA ' ' CB ' ' A' ' 42' ' ' SER . 2.6 pt? -58.94 -33.59 70.79 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.936 -0.305 . . . . 0.0 111.387 -174.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -77.55 -44.1 29.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.129 0.49 . . . . 0.0 109.993 176.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.499 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -56.5 -36.26 68.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.04 178.494 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.7 m -61.49 -35.62 78.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.343 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -69.66 -40.35 76.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.148 0.499 . . . . 0.0 109.693 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.59 -45.94 74.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.16 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.84 -37.29 79.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.992 0.425 . . . . 0.0 110.45 177.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.4 -31.33 76.96 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.799 175.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.07 -47.31 25.09 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 175.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -52.01 -39.55 59.64 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.229 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -102.84 -9.58 19.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.692 0.282 . . . . 0.0 110.715 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 55.69 62.01 2.59 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 122.127 0.965 . . . . 0.0 111.224 -174.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.455 HG23 HD12 ' A' ' 96' ' ' LEU . 12.0 t -125.0 17.82 4.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 114.251 -1.34 . . . . 0.0 108.159 176.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.4 ttm-85 -73.72 81.74 1.58 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.129 -175.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -141.56 -45.17 0.36 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.077 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.454 ' HB2' ' HD2' ' A' ' 93' ' ' PRO . 46.3 p90 -154.65 163.89 22.79 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.268 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.454 ' HD2' ' HB2' ' A' ' 92' ' ' PHE . 23.5 Cg_endo -61.61 127.76 22.63 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.398 2.066 . . . . 0.0 111.401 175.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -153.51 156.19 37.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.961 0.41 . . . . 0.0 111.029 -173.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.8 m -99.75 132.74 44.9 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.282 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.455 HD12 HG23 ' A' ' 89' ' ' VAL . 3.4 mm? -91.53 124.51 35.75 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.5 t -98.68 103.02 14.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.032 -175.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 16.6 m-85 -106.95 127.23 53.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.868 178.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.0 p -140.58 133.08 28.57 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.57 -178.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.3 t70 62.0 24.04 14.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.341 0.591 . . . . 0.0 110.481 -179.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.29 -3.12 82.79 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.769 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -113.82 150.04 34.1 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 122.323 -0.516 . . . . 0.0 111.714 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.416 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 58.2 tp -85.78 130.05 34.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.844 178.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -99.02 -29.4 12.92 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.28 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 156.9 -159.22 29.44 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.984 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -107.68 171.13 7.56 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.072 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--O 1.228 -0.051 0 CA-C-O 121.72 0.771 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.711 ' O ' ' HG2' ' A' ' 120' ' ' MET . 4.3 mt -66.59 -37.43 84.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.6 -1.182 . . . . 0.0 112.411 -175.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 96.5 mt -49.82 -50.46 45.1 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -168.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.7 m -85.34 -40.07 16.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.884 0.373 . . . . 0.0 111.166 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.47 -50.56 67.0 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.519 -171.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.711 ' HG2' ' O ' ' A' ' 116' ' ' LEU . 27.3 ptt? -73.05 -30.32 63.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.941 0.4 . . . . 0.0 110.622 -175.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -74.12 -36.77 64.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.29 -175.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.1 t -63.86 -30.76 71.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.831 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.93 -41.47 89.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.046 0.451 . . . . 0.0 110.965 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 28.1 m -104.32 11.5 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.014 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 37.8 t70 . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 121.363 0.601 . . . . 0.0 110.22 179.625 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 . . . . . 0 CA--C 1.532 0.261 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.627 ' HG3' HD22 ' A' ' 14' ' ' LEU . 20.0 ptt180 -59.7 -30.61 68.91 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 111.709 0.262 . . . . 0.0 111.709 -177.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.627 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.0 mm? -72.41 -40.2 67.36 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.227 0.536 . . . . 0.0 110.052 178.085 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.0 mt -66.67 -32.82 74.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.746 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.6 m -67.23 -25.77 66.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.643 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -77.88 0.48 23.9 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.297 0.57 . . . . 0.0 110.442 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.92 31.83 9.6 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.632 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.1 m0 -104.22 134.85 46.76 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -90.0 130.81 41.12 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.222 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -81.27 113.85 2.72 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.375 2.05 . . . . 0.0 111.323 172.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.9 m -102.53 154.57 5.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.147 0.498 . . . . 0.0 111.636 -176.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.461 ' HB2' ' HB ' ' A' ' 26' ' ' THR . 44.8 mt-10 -104.09 174.11 6.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.459 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.85 -36.32 70.12 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.34 177.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.2 p -101.91 12.74 36.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.238 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.461 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 12.8 m -129.14 -17.83 3.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.842 0.354 . . . . 0.0 111.315 -178.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 31' ' ' ILE . 14.0 p -64.17 -32.31 56.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.648 0.261 . . . . 0.0 110.981 -178.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -62.11 -47.09 86.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.545 -177.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.76 -39.6 92.18 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.056 0.455 . . . . 0.0 110.424 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 53.3 t90 -64.05 -50.94 66.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.059 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 27' ' ' VAL . 91.9 mt -57.98 -47.33 86.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.557 -177.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -25.3 63.74 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.517 -176.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -81.63 -46.59 14.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.994 0.426 . . . . 0.0 111.218 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.2 m -74.55 -35.51 38.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.063 -177.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.9 -52.61 4.49 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.175 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -125.48 136.33 53.25 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -175.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.22 -177.54 40.58 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.293 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 23.2 m -135.39 138.54 48.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.024 0.44 . . . . 0.0 111.019 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.529 HG13 ' HB3' ' A' ' 73' ' ' ALA . 2.4 mp -108.86 126.83 65.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.448 176.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.477 ' HB2' HG13 ' A' ' 74' ' ' VAL . 87.1 mt -96.15 125.65 40.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.043 177.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.9 mt -81.39 156.11 25.58 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.485 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.43 ' C ' ' H ' ' A' ' 58' ' ' ILE . 35.8 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.547 -0.168 . . . . 0.0 110.547 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 65.6 mtm 73.48 -33.7 0.27 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.543 0.737 . . . . 0.0 112.339 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.43 ' H ' ' C ' ' A' ' 56' ' ' VAL . 11.3 tp -59.14 -32.53 48.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.732 -176.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.81 -45.54 24.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.911 0.386 . . . . 0.0 111.625 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.37 -30.3 67.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.407 -177.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.504 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 2.1 tm? -57.99 -51.72 68.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.312 0.577 . . . . 0.0 109.853 177.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 85.0 mt -57.08 -31.63 65.43 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.999 -1.001 . . . . 0.0 112.023 -178.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 -75.46 2.35 11.75 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -172.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 61' ' ' LEU . 5.1 pt-20 -88.67 -4.26 58.59 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.787 174.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -110.42 82.52 2.79 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 175.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.447 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 97.1 Cg_endo -86.39 11.37 3.32 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.851 2.367 . . . . 0.0 113.414 -170.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -70.49 -47.18 61.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.901 0.381 . . . . 0.0 111.795 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -135.59 163.65 29.62 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.535 -176.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -83.28 113.07 20.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.612 -173.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -86.97 141.56 28.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.39 176.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -129.42 142.87 50.69 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.139 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.8 t -108.42 132.37 56.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.011 0.434 . . . . 0.0 110.596 -176.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.529 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -125.58 148.44 48.93 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.42 177.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.477 HG13 ' HB2' ' A' ' 40' ' ' LEU . 18.2 m -127.56 166.84 23.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.085 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -142.51 153.93 44.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.003 0.43 . . . . 0.0 111.376 -178.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -67.72 170.24 8.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.093 175.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.5 mp -52.87 -53.06 54.4 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 122.375 0.27 . . . . 0.0 111.253 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 79' ' ' GLN . 6.3 pt-20 -69.94 -36.21 75.13 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.043 0.449 . . . . 0.0 110.762 -177.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.473 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 97.6 mt-30 -63.94 -43.83 94.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.11 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.4 m -65.42 -33.24 75.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.639 177.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -65.43 -51.84 57.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.342 177.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.86 -47.22 81.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.473 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 87.4 mt -66.08 -49.56 75.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.141 0.496 . . . . 0.0 110.59 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -58.85 -41.06 95.92 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.454 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.54 -37.78 87.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 111.08 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -62.57 -35.45 79.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.581 178.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -95.97 2.89 53.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.729 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 66.23 19.93 11.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.923 177.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.6 t -123.56 78.85 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.244 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -136.81 11.69 3.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.662 171.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -87.38 -20.82 26.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.342 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -151.21 142.52 15.4 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.546 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.4 134.08 40.2 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.693 2.262 . . . . 0.0 111.76 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -158.84 145.92 17.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.456 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.44 ' HB ' ' HB3' ' A' ' 107' ' ' LEU . 15.2 m -79.71 131.2 35.88 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.42 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.3 mm? -91.34 124.1 35.28 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.3 t -95.97 106.79 18.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.447 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -108.15 134.15 51.41 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.009 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -154.94 138.8 16.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.355 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.9 t70 65.82 14.84 9.78 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.566 0.698 . . . . 0.0 110.24 -178.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.75 2.36 90.64 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.389 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -111.17 157.73 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.389 . . . . 0.0 111.28 -178.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 60.9 tp -89.51 124.9 34.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.778 175.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -93.05 -25.13 18.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.989 0.424 . . . . 0.0 110.715 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 152.7 -166.86 31.44 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.194 178.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.58 145.36 41.37 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.44 ' HB3' ' HB ' ' A' ' 95' ' ' THR . 1.1 tm? . . . . . 0 C--N 1.322 -0.608 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 -176.432 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.462 0.154 0 CA-C-O 121.143 0.497 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.8 tt -59.46 -41.27 89.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.78 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -55.83 -47.88 76.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.385 -175.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.9 m -62.56 -46.76 86.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.935 0.398 . . . . 0.0 111.315 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.552 ' O ' HG13 ' A' ' 123' ' ' ILE . 4.3 mm? -71.4 -49.82 38.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.472 -176.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.431 ' HA ' HD13 ' A' ' 123' ' ' ILE . 17.0 tpt -58.89 -41.01 86.15 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.904 0.383 . . . . 0.0 111.158 -178.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 121' ' ' ARG . 17.5 ttt85 -67.38 -30.53 70.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.335 0.588 . . . . 0.0 110.521 -178.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.0 t -75.27 -29.68 60.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.66 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 119' ' ' LEU . 78.3 mt -61.78 -38.18 79.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.255 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.3 m -81.9 35.99 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-O 121.243 0.544 . . . . 0.0 111.267 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 24.1 t70 . . . . . 0 N--CA 1.469 0.505 0 CA-C-N 115.382 -0.827 . . . . 0.0 111.485 179.943 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -53.0 -38.8 62.59 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 122.671 0.388 . . . . 0.0 111.627 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.629 HD21 HG11 ' A' ' 74' ' ' VAL . 7.7 mp -66.35 -36.16 82.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.99 0.424 . . . . 0.0 110.156 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.2 mt -75.45 -30.26 59.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.593 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.6 m -67.13 -33.88 76.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.011 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -81.46 172.39 13.57 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.3 45.01 2.51 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.953 -0.642 . . . . 0.0 113.434 -175.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.491 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 51.7 m0 -105.51 138.35 41.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.964 0.412 . . . . 0.0 111.254 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.422 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 2.3 mp0 -97.72 135.44 21.59 Favored Pre-proline 0 N--CA 1.449 -0.518 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.256 177.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 1.7 Cg_endo -81.45 118.22 3.19 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.61 2.206 . . . . 0.0 111.098 175.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.4 m -108.95 155.64 9.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.271 0.558 . . . . 0.0 111.88 -176.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.468 ' HB2' HG23 ' A' ' 26' ' ' THR . 43.8 mt-10 -117.96 168.35 10.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.567 177.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.16 -24.76 67.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.954 0.406 . . . . 0.0 111.301 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 p -91.11 -13.02 33.84 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -176.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.468 HG23 ' HB2' ' A' ' 23' ' ' GLU . 14.2 t -126.06 -6.73 6.62 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.565 -0.454 . . . . 0.0 112.124 -177.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -61.91 -39.2 82.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.601 0.239 . . . . 0.0 111.211 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -68.61 -28.7 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.846 -177.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -76.93 -43.06 36.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.563 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . 0.435 ' O ' HG21 ' A' ' 34' ' ' VAL . 92.2 t90 -56.67 -46.83 80.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.089 178.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.455 HD13 ' CE1' ' A' ' 98' ' ' PHE . 63.8 mt -61.47 -41.51 90.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.716 178.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -57.72 -39.95 78.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.501 0.667 . . . . 0.0 111.039 175.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -78.98 -35.87 42.32 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.356 -171.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.558 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 26.8 m -86.41 -45.48 16.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.525 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.99 -61.82 0.59 Allowed Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.006 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -127.52 137.01 52.52 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -175.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 168.84 -171.59 42.91 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.054 -1.07 . . . . 0.0 112.893 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.461 HG22 HG11 ' A' ' 72' ' ' VAL . 15.3 m -136.55 138.68 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.979 0.418 . . . . 0.0 111.005 -178.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.531 HG13 ' HB3' ' A' ' 73' ' ' ALA . 2.0 mp -109.92 128.2 66.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.88 178.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.474 ' HB2' HG13 ' A' ' 74' ' ' VAL . 97.6 mt -96.93 132.89 42.26 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.249 178.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.0 mt -94.72 156.73 16.27 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.1 t . . . . . 0 C--N 1.32 -0.685 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 175.28 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.508 ' C ' ' H ' ' A' ' 58' ' ' ILE . 29.2 m . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 67.7 mtm 71.57 -21.84 0.21 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.052 0.541 . . . . 0.0 111.615 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.508 ' H ' ' C ' ' A' ' 56' ' ' VAL . 9.7 tp -62.35 -24.41 34.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.192 0.52 . . . . 0.0 110.534 177.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.73 -26.21 54.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.763 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.72 -29.07 68.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.818 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -52.4 -43.12 64.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.767 179.751 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.7 -17.24 13.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.415 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 63' ' ' ARG . 30.9 mmt180 -77.68 -21.29 52.3 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.29 -0.256 . . . . 0.0 110.879 178.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.771 ' HB3' HD11 ' A' ' 117' ' ' LEU . 8.7 mm-40 -86.96 -29.23 22.19 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 120.935 0.398 . . . . 0.0 110.798 -172.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -121.27 77.66 34.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.643 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -81.82 9.63 3.85 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.345 2.697 . . . . 0.0 112.201 -177.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -65.23 -44.79 87.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.217 176.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 4.5 m-85 -108.02 156.52 19.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.116 177.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -97.64 93.53 6.46 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 169.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.448 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 18.5 m95 -78.36 143.6 36.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.832 -170.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.558 ' OE1' ' HB ' ' A' ' 34' ' ' VAL . 28.0 mp0 -111.39 139.84 46.47 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 168.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.491 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 21.2 t -109.04 135.11 48.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.47 -177.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.531 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -129.18 154.57 46.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.605 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.629 HG11 HD21 ' A' ' 14' ' ' LEU . 11.7 m -125.69 147.58 30.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.468 178.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.36 141.25 28.65 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.724 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.532 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 3.2 t70 -57.01 152.34 13.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.288 174.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.4 mt -51.68 -43.23 62.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.778 0.323 . . . . 0.0 111.522 -176.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -78.72 -50.45 11.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.12 0.486 . . . . 0.0 110.443 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.532 ' HB2' ' HB3' ' A' ' 76' ' ' ASP . 19.2 mm-40 -62.89 -25.81 68.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.435 -175.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.2 t -59.04 -35.81 73.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.59 0.233 . . . . 0.0 111.406 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.02 -43.11 79.54 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.33 -39.36 81.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.212 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.9 mt -66.39 -39.32 83.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 120.757 0.313 . . . . 0.0 110.85 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.96 -43.59 97.99 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.564 176.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.13 -40.88 95.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.281 0.562 . . . . 0.0 110.75 175.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -55.54 -41.6 73.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.969 -176.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -102.28 -1.38 31.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.125 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 56.12 49.98 14.47 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.27 0.557 . . . . 0.0 110.514 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.9 p -69.99 150.56 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.59 -177.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -70.64 140.76 51.66 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.465 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 56.6 mtt180 -58.54 164.98 2.35 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -176.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.465 ' HB2' ' O ' ' A' ' 91' ' ' ARG . 88.9 m-85 77.96 151.91 0.13 Allowed Pre-proline 0 N--CA 1.47 0.546 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.437 -174.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -45.67 121.92 4.49 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.582 2.854 . . . . 0.0 112.356 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -140.68 143.98 35.39 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 121.427 0.632 . . . . 0.0 111.419 -171.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.3 m -101.08 131.3 47.06 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.987 173.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.8 mm? -91.19 124.3 35.29 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.4 ' CG2' HD21 ' A' ' 107' ' ' LEU . 44.8 t -97.22 114.16 33.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.852 -177.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.459 ' CD2' HD12 ' A' ' 39' ' ' ILE . 50.8 m-85 -112.05 140.8 46.43 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.261 0.553 . . . . 0.0 110.846 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.577 ' HB ' HH11 ' A' ' 104' ' ' ARG . 1.3 m -153.1 148.55 27.12 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -177.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.41 16.02 3.86 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 123.558 0.743 . . . . 0.0 112.337 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.86 -8.97 79.05 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.579 -175.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -120.25 178.06 4.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.209 0.504 . . . . 0.0 111.675 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.6 tp -83.41 129.09 34.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.985 0.422 . . . . 0.0 110.965 -176.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.577 HH11 ' HB ' ' A' ' 99' ' ' THR . 0.2 OUTLIER -91.76 -48.96 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.674 178.245 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 175.71 -164.03 34.04 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.812 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.67 147.68 52.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.733 0.301 . . . . 0.0 110.668 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.412 HD23 ' HG3' ' A' ' 120' ' ' MET . 1.8 mm? . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.435 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 . . . . . 0 CA--C 1.521 -0.162 0 CA-C-O 121.101 0.477 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.1 tt -58.12 -40.82 82.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.697 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.771 HD11 ' HB3' ' A' ' 64' ' ' GLU . 4.6 mm? -62.1 -28.94 69.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.485 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.0 m -82.73 -45.77 14.0 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.946 0.403 . . . . 0.0 110.54 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -70.21 -49.9 45.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.277 -174.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.412 ' HG3' HD23 ' A' ' 107' ' ' LEU . 28.1 ttt -72.52 -24.6 61.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 -173.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 9.6 ttt180 -68.81 -28.02 66.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.549 -178.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 36.2 m -61.14 -29.85 70.02 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.132 176.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.429 HG23 ' CG ' ' A' ' 104' ' ' ARG . 47.4 mt -80.06 -49.28 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.24 0.543 . . . . 0.0 110.559 177.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.2 m -91.83 35.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.17 -177.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.3 t70 . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.094 -178.699 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 . . . . . 0 N--CA 1.468 0.427 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.716 ' HG3' HD22 ' A' ' 14' ' ' LEU . 22.7 ptt180 -55.3 -31.11 61.38 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -175.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.716 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.2 mm? -72.96 -41.76 64.07 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.179 0.514 . . . . 0.0 109.678 178.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.419 HD23 ' HG3' ' A' ' 21' ' ' PRO . 86.6 mt -67.75 -26.05 65.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.535 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -60.2 -38.4 83.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.868 177.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -75.52 -33.59 60.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.086 0.469 . . . . 0.0 109.973 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 141.59 -130.08 4.25 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.39 176.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.593 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 38.8 m0 67.28 154.56 0.1 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.682 0.753 . . . . 0.0 112.1 -178.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.425 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 2.1 mp0 -90.59 120.89 68.85 Favored Pre-proline 0 N--CA 1.442 -0.859 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.385 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 4.5 Cg_exo -78.56 105.77 2.02 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.54 2.16 . . . . 0.0 111.012 175.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.5 m -101.73 -173.63 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.953 -177.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -132.35 179.92 5.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.081 -178.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . 0.509 ' HA ' HG12 ' A' ' 83' ' ' ILE . . . -63.5 -48.64 76.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.006 0.431 . . . . 0.0 111.389 -177.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.4 m -88.17 -32.05 18.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.819 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 m -70.09 -26.39 63.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.844 -176.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 31' ' ' ILE . 11.7 p -63.61 -34.0 65.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.616 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.51 -42.29 96.11 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.316 0.579 . . . . 0.0 110.224 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.508 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 12.4 t70 -69.85 -40.48 75.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.401 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -60.81 -47.06 88.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.536 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 27' ' ' VAL . 95.8 mt -56.44 -50.63 71.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.606 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.508 ' HE3' ' HA ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -67.6 -20.17 65.33 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.946 -175.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.8 ttt85 -81.71 -48.25 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.554 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.6 m -76.29 -36.42 29.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.552 -174.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.18 -50.12 3.36 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 121.324 -0.465 . . . . 0.0 112.16 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -122.07 125.89 47.23 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -177.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.34 174.52 41.2 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.164 -1.017 . . . . 0.0 112.885 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.496 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 11.6 m -133.4 133.98 57.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.141 0.496 . . . . 0.0 110.782 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.419 ' N ' HD13 ' A' ' 39' ' ' ILE . 3.8 mp -103.81 125.59 58.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.013 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.498 ' HB2' HG11 ' A' ' 74' ' ' VAL . 51.8 mt -99.47 114.42 27.36 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 175.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.1 mt -70.42 147.72 49.18 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.495 ' HB2' ' O ' ' A' ' 75' ' ' ALA . 33.4 t . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.73 -177.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.8 p . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 121.419 0.628 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 78.0 mtp -95.17 7.14 47.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.391 -175.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.45 HG21 HD13 ' A' ' 40' ' ' LEU . 9.4 tp -76.67 -18.51 14.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.646 -177.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.51 -52.52 38.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.472 -176.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -68.6 -29.17 67.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.96 0.41 . . . . 0.0 110.537 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.752 HD22 HD23 ' A' ' 116' ' ' LEU . 2.4 tm? -70.33 -55.69 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.542 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.4 tp -55.91 -36.88 68.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.284 -174.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -74.5 14.35 0.48 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -176.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.72 -18.19 30.02 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 173.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -121.74 62.85 14.23 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.139 -176.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -84.23 43.3 1.33 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.213 1.942 . . . . 0.0 112.251 -175.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -82.59 -38.45 23.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.234 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.22 177.64 5.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.561 -175.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -90.38 89.98 7.84 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 173.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -75.64 141.2 42.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.434 0.635 . . . . 0.0 110.616 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -126.75 136.34 52.29 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.665 178.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.593 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 17.0 t -105.25 129.41 58.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.058 0.456 . . . . 0.0 110.582 -176.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.02 151.61 46.87 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.832 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.498 HG11 ' HB2' ' A' ' 40' ' ' LEU . 14.4 m -129.44 161.74 38.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.06 178.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.495 ' O ' ' HB2' ' A' ' 42' ' ' SER . . . -132.29 165.08 25.0 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 121.186 -0.206 . . . . 0.0 110.906 -177.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.514 ' HB3' ' HG2' ' A' ' 79' ' ' GLN . 18.4 t70 -63.87 157.29 25.07 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.512 0.508 . . . . 0.0 110.84 -178.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.3 mp -51.13 -57.03 9.77 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -171.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -77.05 -40.93 44.45 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -172.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.534 ' O ' HG13 ' A' ' 83' ' ' ILE . 3.7 pt20 -65.64 -29.46 70.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.628 0.251 . . . . 0.0 111.013 -176.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.1 m -52.82 -33.11 47.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.757 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -69.48 -41.29 76.33 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.32 -29.24 62.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.16 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 79' ' ' GLN . 69.2 mt -63.98 -36.12 75.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.039 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.19 -33.68 86.71 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.592 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -74.77 -34.33 62.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.873 0.368 . . . . 0.0 110.182 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -56.2 -43.49 78.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.92 175.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.422 ' HB2' HG21 ' A' ' 89' ' ' VAL . 25.8 m-85 -83.49 -1.1 52.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.782 179.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.422 ' N ' HD21 ' A' ' 88' ' ' ASN . 0.9 OUTLIER 64.05 38.63 8.38 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.697 178.328 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.568 HG11 ' H ' ' A' ' 90' ' ' ARG . 10.4 t -88.36 173.03 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.113 178.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.574 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 53.4 mmm-85 -70.76 7.03 1.23 Allowed 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 62.92 89.04 0.09 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 122.892 0.477 . . . . 0.0 111.438 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.574 ' CE1' ' HB2' ' A' ' 90' ' ' ARG . 52.2 p90 -170.71 155.44 4.77 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -59.74 118.13 4.97 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.507 2.138 . . . . 0.0 112.015 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -160.63 158.97 29.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.093 -174.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.4 m -89.82 131.12 35.93 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.517 175.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.4 mm? -91.35 125.39 36.09 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.013 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.7 t -99.94 112.39 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.973 -175.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.463 ' CZ ' HD12 ' A' ' 103' ' ' LEU . 34.4 m-85 -121.34 131.49 54.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.196 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 60.6 p -141.34 130.98 24.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.881 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 t70 63.4 19.36 11.64 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.359 0.599 . . . . 0.0 111.065 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.9 6.0 89.32 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.005 -177.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -107.24 142.3 37.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.825 0.345 . . . . 0.0 110.623 -177.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.463 HD12 ' CZ ' ' A' ' 98' ' ' PHE . 48.7 tp -80.02 122.48 26.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.406 178.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -99.9 -34.22 10.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.885 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 146.08 -166.94 27.92 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.449 176.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -110.81 158.8 18.28 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.7 tm? . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -176.805 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 N--CA 1.467 0.381 0 CA-C-O 120.633 0.254 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.752 HD23 HD22 ' A' ' 61' ' ' LEU . 9.5 tt -53.88 -45.3 71.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.134 175.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.413 HD23 ' N ' ' A' ' 117' ' ' LEU . 3.3 mm? -65.72 -42.91 90.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.319 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.7 m -59.73 -48.15 82.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.023 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.68 -48.89 44.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.293 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -39.44 82.43 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.004 -177.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -61.29 -36.84 81.15 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.5 t -68.94 -30.86 69.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.136 0.493 . . . . 0.0 109.955 176.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 48.8 mm -65.87 -38.79 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.333 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 28.2 m -99.18 20.15 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.374 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 23.2 t70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.343 0.592 . . . . 0.0 110.342 179.607 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 . . . . . 0 CA--C 1.531 0.241 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.406 ' HG3' HD22 ' A' ' 14' ' ' LEU . 35.8 ptt180 -66.04 -28.49 68.89 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.8 -174.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.406 HD22 ' HG3' ' A' ' 13' ' ' ARG . 4.2 mm? -71.2 -38.49 72.05 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 176.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.21 -35.53 81.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.839 174.349 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.9 m -68.37 -27.14 65.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.213 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -70.06 -26.44 64.01 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.794 0.331 . . . . 0.0 110.362 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.32 20.78 5.77 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.405 -0.903 . . . . 0.0 112.642 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 37.2 m0 -83.04 136.33 34.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.836 0.35 . . . . 0.0 110.346 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 -89.9 120.1 69.37 Favored Pre-proline 0 N--CA 1.448 -0.562 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.608 -177.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -74.56 105.4 2.05 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 122.15 1.9 . . . . 0.0 110.373 170.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.469 HG12 ' HB2' ' A' ' 73' ' ' ALA . 9.1 m -84.78 160.81 3.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.455 0.645 . . . . 0.0 111.471 -175.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.638 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 36.7 mt-10 -115.17 -175.59 2.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.64 -178.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.18 -50.26 6.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.906 0.384 . . . . 0.0 111.307 -175.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.4 t -76.83 -36.37 56.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.883 -173.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.4 t -105.9 19.48 20.46 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.152 -0.343 . . . . 0.0 111.859 -174.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.638 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 12.7 p -65.09 -39.26 85.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 120.674 0.273 . . . . 0.0 111.241 -179.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.483 ' HA ' HD12 ' A' ' 31' ' ' ILE . 4.7 p-10 -75.14 -23.52 57.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.533 0.206 . . . . 0.0 110.76 -176.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -66.59 -43.6 84.44 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -60.28 -45.19 94.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.04 176.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 28' ' ' ASP . 76.2 mt -59.23 -43.43 89.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.822 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.641 ' HB3' ' HZ3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -66.04 -32.08 73.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.181 0.515 . . . . 0.0 110.234 178.749 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.35 -45.61 38.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.906 -175.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.6 m -86.13 -31.59 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.965 0.412 . . . . 0.0 111.684 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.55 -54.65 4.84 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 121.127 -0.559 . . . . 0.0 111.926 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -126.26 129.11 48.27 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.673 0.273 . . . . 0.0 110.267 -176.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.95 176.0 42.89 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.336 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.2 m -132.06 144.14 38.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.739 0.304 . . . . 0.0 111.189 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.3 mp -110.64 126.48 67.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.83 176.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.527 ' HB2' HG13 ' A' ' 74' ' ' VAL . 80.4 mt -96.88 129.7 44.28 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.691 177.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.44 ' HB2' ' HB3' ' A' ' 93' ' ' PRO . 92.5 mt -96.74 160.87 14.14 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 174.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.1 t . . . . . 0 C--N 1.332 -0.165 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.955 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.414 ' O ' ' HB2' ' A' ' 57' ' ' MET . 34.4 m . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.448 ' HA ' ' OE1' ' A' ' 60' ' ' GLU . 87.8 mtp 71.4 6.5 5.78 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.281 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.478 HD11 HD12 ' A' ' 61' ' ' LEU . 9.3 tp -76.84 -16.13 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.057 0.456 . . . . 0.0 109.845 176.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.53 -53.51 11.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.87 -178.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.594 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 1.5 pm0 -64.93 -30.45 71.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.096 0.475 . . . . 0.0 110.302 176.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.624 HD22 HD22 ' A' ' 116' ' ' LEU . 7.1 tt -64.28 -55.09 23.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.705 175.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.3 tp -60.05 -39.32 85.53 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.921 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.594 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 5.3 ptp180 -75.14 15.13 0.45 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.886 0.374 . . . . 0.0 111.656 -176.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.46 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 38.1 mm-40 -74.64 -12.27 60.4 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 172.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -114.64 80.64 6.45 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.485 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 5.9 Cg_exo -74.41 -6.96 19.08 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.817 2.344 . . . . 0.0 111.603 178.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -54.8 -48.53 72.64 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.64 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.471 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 5.6 m-85 -108.71 -174.35 2.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.881 178.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -127.72 106.25 9.01 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 173.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.471 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 11.2 m95 -96.27 151.31 19.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.175 -170.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -111.23 157.89 19.59 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 170.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.4 t -109.87 119.23 58.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.856 0.36 . . . . 0.0 110.418 -178.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.469 ' HB2' HG12 ' A' ' 22' ' ' VAL . . . -115.95 148.27 40.25 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.199 178.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.527 HG13 ' HB2' ' A' ' 40' ' ' LEU . 16.9 m -131.58 149.52 33.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 120.939 0.399 . . . . 0.0 111.212 -178.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.426 ' C ' ' H ' ' A' ' 77' ' ' LEU . . . -82.59 149.12 27.63 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 171.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.513 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 13.6 p-10 -81.26 30.6 0.34 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.746 0.307 . . . . 0.0 110.644 -177.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.513 ' HB2' ' O ' ' A' ' 76' ' ' ASP . 10.4 mp 73.82 -47.59 0.65 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.596 0.759 . . . . 0.0 110.59 -174.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -67.6 -51.26 52.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.504 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 0.7 OUTLIER -56.26 -23.38 35.81 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -177.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.424 ' HA ' HD22 ' A' ' 41' ' ' LEU . 8.4 m -49.66 -43.9 47.35 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -172.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.23 -45.74 83.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.131 0.491 . . . . 0.0 110.469 -178.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.61 -44.9 73.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.98 -39.2 82.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.5 -51.73 56.07 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.619 -0.801 . . . . 0.0 111.939 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -67.17 -33.65 75.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.888 0.375 . . . . 0.0 110.78 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -57.87 -34.65 69.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.067 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -106.68 13.98 27.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.815 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 64.23 31.98 12.71 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.156 175.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.78 HG12 ' H ' ' A' ' 90' ' ' ARG . 2.4 t -91.65 -158.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 175.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.78 ' H ' HG12 ' A' ' 89' ' ' VAL . 43.8 ttt180 -162.53 -175.03 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -173.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.675 ' H ' ' HG2' ' A' ' 90' ' ' ARG . 7.5 tpp180 -56.52 157.13 5.4 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 175.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.452 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 97.5 m-85 70.54 96.63 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.391 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 -170.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.452 ' HD3' ' HA ' ' A' ' 92' ' ' PHE . 8.2 Cg_exo -72.85 -175.69 2.01 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 123.862 3.041 . . . . 0.0 114.42 -167.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -171.75 162.63 6.28 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 114.56 -1.2 . . . . 0.0 109.472 -174.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.6 m -83.39 128.35 34.44 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 171.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.95 123.74 34.67 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.692 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.1 t -98.53 108.16 21.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.143 -176.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -111.35 130.82 55.56 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.925 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.07 141.14 27.3 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.125 -178.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.7 t70 63.1 21.54 12.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.54 0.686 . . . . 0.0 110.778 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.54 9.54 82.11 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.207 -176.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -123.64 157.1 34.56 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.807 0.336 . . . . 0.0 110.876 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 63.9 tp -76.2 129.24 36.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.274 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.47 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -99.38 -42.09 7.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.481 176.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 169.29 -173.55 43.68 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.404 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -125.8 147.32 49.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 CA-C-O 120.832 0.349 . . . . 0.0 110.164 -176.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 . . . . . 0 CA--C 1.519 -0.24 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.624 HD22 HD22 ' A' ' 61' ' ' LEU . 8.5 tt -54.59 -42.88 71.6 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.15 178.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.515 HD12 ' HE2' ' A' ' 120' ' ' MET . 3.3 mm? -57.75 -46.16 84.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.961 177.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.7 m -63.25 -51.37 66.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.225 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.0 -50.06 65.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.961 -174.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.515 ' HE2' HD12 ' A' ' 117' ' ' LEU . 24.5 ptt? -64.5 -34.05 77.33 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.631 -176.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -73.8 -37.17 65.01 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 120.71 0.29 . . . . 0.0 111.43 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.0 t -64.81 -30.61 71.63 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.991 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 61.7 mt -73.98 -42.26 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.846 0.355 . . . . 0.0 110.81 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 34.8 m -84.89 11.94 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.044 0.45 . . . . 0.0 111.314 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 12.7 t70 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.392 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 CA--C 1.533 0.297 0 CA-C-O 120.585 0.231 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.725 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 5.3 mmp_? -69.92 -29.14 66.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.737 -0.211 . . . . 0.0 111.369 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.8 mt -68.5 -40.51 80.86 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 174.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.8 mt -62.96 -27.44 69.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.49 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.0 m -62.09 -43.55 98.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.611 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -70.15 -32.96 71.18 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 132.37 -135.01 7.89 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.388 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.754 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 34.3 m0 71.39 155.64 0.15 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.681 0.753 . . . . 0.0 112.653 176.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -87.83 116.98 67.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.238 -175.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -71.93 114.31 3.93 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.678 2.252 . . . . 0.0 111.465 175.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.1 m -116.61 164.95 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.001 0.429 . . . . 0.0 111.519 -177.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -120.03 176.88 5.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.617 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.17 -32.45 72.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.096 0.474 . . . . 0.0 110.756 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 p -93.94 -3.53 51.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.21 -176.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.4 p -125.21 -9.3 7.03 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 31' ' ' ILE . 7.9 p -64.53 -42.38 95.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -175.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -76.17 -31.66 58.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.698 0.285 . . . . 0.0 110.448 -176.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -63.67 -39.43 94.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.449 0.642 . . . . 0.0 109.62 175.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -64.25 -49.68 70.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.451 175.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 27' ' ' VAL . 93.9 mt -58.47 -41.37 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.991 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.486 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -55.48 -36.54 66.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.722 179.457 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.6 ttt85 -80.21 -47.2 15.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.048 0.451 . . . . 0.0 111.098 -176.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.403 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 34.9 m -71.55 -41.84 72.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.521 -177.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.23 -57.59 5.03 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -121.52 106.79 11.72 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -175.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.6 177.78 39.36 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.903 -177.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 10.3 m -132.87 140.69 46.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.014 0.435 . . . . 0.0 111.151 -178.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 mp -116.24 133.12 63.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.135 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.507 HD23 HG12 ' A' ' 58' ' ' ILE . 65.2 mt -96.97 128.79 44.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.032 175.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.4 mt -81.22 169.93 16.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.528 178.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.856 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 O-C-N 123.867 0.729 . . . . 0.0 110.934 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 50.6 t . . . . . 0 C--O 1.233 0.2 0 CA-C-O 121.321 0.581 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -66.49 -12.54 57.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.6 -175.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.507 HG12 HD23 ' A' ' 40' ' ' LEU . 2.0 mp -59.59 -30.87 45.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.52 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.53 -39.26 93.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.049 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.575 ' OE1' ' HD2' ' A' ' 63' ' ' ARG . 4.3 tp10 -68.9 -34.88 76.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.224 0.535 . . . . 0.0 110.01 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -67.56 -51.01 55.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.061 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.474 ' HG ' ' HB2' ' A' ' 70' ' ' TRP . 6.8 tt -55.02 -46.94 75.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.151 -178.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HD2' ' OE1' ' A' ' 60' ' ' GLU . 7.0 ptp180 -73.58 -8.63 56.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.53 -175.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.67 ' HG2' ' HE1' ' A' ' 120' ' ' MET . 13.8 tp10 -82.93 -14.8 53.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.04 0.448 . . . . 0.0 110.344 -178.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -112.17 83.5 5.12 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -83.98 44.63 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.049 2.499 . . . . 0.0 112.98 -172.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -127.81 -46.22 1.42 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.335 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.528 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 13.5 m-85 -92.23 143.2 26.66 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 174.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -91.34 91.5 8.18 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 169.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.528 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 30.4 m95 -75.88 138.39 41.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.182 0.515 . . . . 0.0 111.077 -173.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.403 ' OE1' ' HB ' ' A' ' 34' ' ' VAL . 25.4 mp0 -103.11 130.76 50.37 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 170.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.754 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 17.8 t -100.3 123.79 53.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.31 156.17 21.09 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.342 179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.0 m -120.06 133.84 65.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.036 0.446 . . . . 0.0 110.67 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.404 ' HB2' HD13 ' A' ' 83' ' ' ILE . . . -99.9 133.75 43.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.409 178.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -59.73 153.85 19.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.044 178.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.856 ' HA ' ' HB2' ' A' ' 42' ' ' SER . 21.7 mt -56.15 -50.69 70.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.987 -177.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -72.41 -40.37 67.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.466 -178.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -62.33 -28.24 69.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.693 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.524 ' CB ' ' HB3' ' A' ' 42' ' ' SER . 57.8 m -62.9 -21.38 65.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.715 -179.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -58.38 -52.25 66.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.018 0.437 . . . . 0.0 110.396 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.46 -41.36 39.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.892 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.404 HD13 ' HB2' ' A' ' 75' ' ' ALA . 75.6 mt -63.2 -48.21 88.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.606 -177.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.29 -39.36 97.1 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.178 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -68.21 -39.39 82.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.161 0.505 . . . . 0.0 110.46 178.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -61.82 -33.19 73.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.338 -177.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -99.04 5.01 47.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.625 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 65.35 27.91 11.88 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.72 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.58 HG22 HD12 ' A' ' 96' ' ' LEU . 5.9 t -93.6 1.67 9.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.917 0.865 . . . . 0.0 108.785 175.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.426 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 1.3 mpt_? 66.07 -87.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.396 -1.275 . . . . 0.0 110.951 179.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 91' ' ' ARG . 41.1 ttm105 -167.3 29.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.491 0.662 . . . . 0.0 109.554 -177.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -107.48 142.17 24.57 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.647 -178.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -55.14 120.3 7.96 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 123.004 2.47 . . . . 0.0 112.425 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -163.08 145.92 10.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.356 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.7 m -85.44 131.64 34.35 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.58 HD12 HG22 ' A' ' 89' ' ' VAL . 3.7 mm? -90.48 124.33 34.9 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.945 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.1 t -97.87 110.35 25.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.918 -178.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -114.13 136.13 53.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.332 0.587 . . . . 0.0 111.361 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.8 m -151.54 146.86 26.18 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 176.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 65.08 14.89 9.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.486 0.491 . . . . 0.0 110.411 -173.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 70.48 17.53 74.64 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.031 -172.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -127.02 154.18 44.97 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.662 0.268 . . . . 0.0 110.322 -175.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 61.5 tp -72.69 120.03 17.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.058 0.456 . . . . 0.0 111.087 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.74 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -93.4 -49.51 5.89 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.933 178.222 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 178.05 -170.53 42.78 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.63 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -123.81 146.64 48.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.968 0.414 . . . . 0.0 110.606 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.56 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 121.324 0.583 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 116' ' ' LEU . 6.1 tt -57.4 -33.67 68.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.603 175.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.641 ' HA ' ' HE3' ' A' ' 120' ' ' MET . 87.0 mt -55.38 -48.09 74.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.785 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.9 m -69.0 -39.34 79.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.385 0.612 . . . . 0.0 110.845 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 119' ' ' LEU . 0.9 OUTLIER -68.88 -49.73 55.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.739 -175.071 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.67 ' HE1' ' HG2' ' A' ' 64' ' ' GLU . 27.1 ptt? -59.97 -36.32 76.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.224 -0.443 . . . . 0.0 112.012 -175.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -67.66 -35.69 79.34 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.017 0.437 . . . . 0.0 111.333 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.7 m -65.08 -30.21 71.15 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.186 176.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 67.4 mt -74.72 -46.43 41.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.009 0.433 . . . . 0.0 110.618 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.4 m -84.64 33.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.234 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.005 179.466 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 . . . . . 0 CA--C 1.533 0.321 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.457 ' HG2' HD21 ' A' ' 14' ' ' LEU . 16.1 ptt180 -60.98 -31.9 71.48 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.09 -176.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.457 HD21 ' HG2' ' A' ' 13' ' ' ARG . 2.8 mm? -73.65 -40.53 63.66 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.052 0.453 . . . . 0.0 110.154 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.8 mt -63.96 -40.95 97.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.04 178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.4 m -66.52 -26.11 67.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.227 -179.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -78.09 -5.64 52.16 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.982 -176.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.95 16.72 7.2 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.883 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.41 ' CH2' ' HA ' ' A' ' 56' ' ' VAL . 49.7 m0 -99.43 133.26 44.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.94 0.37 . . . . 0.0 110.776 177.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.421 HE21 ' HB2' ' A' ' 20' ' ' GLN . 1.8 mp0 -92.12 122.97 64.01 Favored Pre-proline 0 N--CA 1.448 -0.565 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.738 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -79.3 103.65 1.65 Allowed 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.374 2.049 . . . . 0.0 111.133 174.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.4 m -92.36 176.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.39 0.614 . . . . 0.0 112.077 -172.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.523 ' HB2' HG22 ' A' ' 26' ' ' THR . 43.0 mt-10 -113.47 175.0 5.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.472 -179.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.11 -18.52 57.89 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.029 0.442 . . . . 0.0 110.805 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 p -89.14 -52.98 4.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.418 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.523 HG22 ' HB2' ' A' ' 23' ' ' GLU . 13.0 t -71.68 -23.17 61.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.89 -174.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.6 p -62.67 -35.05 68.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -174.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -65.25 -50.73 64.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.023 0.44 . . . . 0.0 110.534 -176.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.48 -37.45 80.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.652 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -56.14 -49.28 74.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.681 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.4 mt -63.88 -42.43 95.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -59.91 -38.64 82.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.311 0.577 . . . . 0.0 109.864 177.281 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -69.59 -47.49 63.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.546 -176.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.6 m -80.05 -39.87 19.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.468 -176.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.22 -50.82 4.04 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.995 -0.622 . . . . 0.0 111.929 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -117.87 131.29 56.56 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.33 177.73 40.7 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.117 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.7 m -134.84 133.25 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.983 0.42 . . . . 0.0 110.955 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.427 HD11 ' N ' ' A' ' 39' ' ' ILE . 3.4 mp -109.31 128.22 65.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.566 178.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.522 ' HB2' HG13 ' A' ' 74' ' ' VAL . 4.3 mm? -104.47 131.12 52.22 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.252 178.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.585 ' HB2' ' HB2' ' A' ' 93' ' ' PRO . 56.8 mt -91.34 164.3 13.9 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -172.064 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.41 ' HA ' ' CH2' ' A' ' 19' ' ' TRP . 9.4 p . . . . . 0 CA--C 1.534 0.351 0 CA-C-O 121.321 0.581 . . . . 0.0 110.679 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.522 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 2.2 mpt? -83.85 1.8 41.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.85 177.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.406 HG13 HD11 ' A' ' 62' ' ' LEU . 10.0 tp -63.7 -21.48 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.147 0.498 . . . . 0.0 110.885 -176.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.553 ' O ' ' HG3' ' A' ' 63' ' ' ARG . . . -61.0 -43.2 99.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.726 -177.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 57' ' ' MET . 16.2 pt-20 -70.94 -30.06 66.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.756 0.312 . . . . 0.0 110.74 -176.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 61' ' ' LEU . 1.4 tm? -65.74 -49.39 68.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.313 0.578 . . . . 0.0 109.812 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.406 HD11 HG13 ' A' ' 58' ' ' ILE . 9.2 mp -61.46 -22.59 65.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.589 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.553 ' HG3' ' O ' ' A' ' 59' ' ' ALA . 75.3 mtp180 -71.24 -11.8 61.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.423 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -88.27 -8.08 55.76 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 120.941 0.4 . . . . 0.0 110.207 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -126.85 65.19 61.95 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.18 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -77.44 7.13 3.94 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.586 2.191 . . . . 0.0 112.719 -173.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -68.83 -44.45 73.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.11 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.585 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 8.9 m-85 -96.23 162.31 13.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.232 -175.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -96.35 83.76 3.61 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.585 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 63.0 m95 -70.51 139.89 51.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.068 -175.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -130.29 124.27 31.99 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.436 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.8 t -96.13 127.3 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.226 -174.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.02 149.54 48.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.689 176.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.522 HG13 ' HB2' ' A' ' 40' ' ' LEU . 26.0 m -129.09 164.61 31.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.766 0.317 . . . . 0.0 111.062 -176.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.513 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -123.41 130.02 52.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.12 177.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.485 ' HB3' HD11 ' A' ' 77' ' ' LEU . 5.9 m-20 -61.08 -82.02 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 O-C-N 123.407 0.442 . . . . 0.0 112.005 -176.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.485 HD11 ' HB3' ' A' ' 76' ' ' ASP . 5.9 mp -132.4 -78.98 0.5 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.582 -178.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -61.06 -32.1 71.75 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.341 -177.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.513 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 22.4 mp0 -56.92 -38.87 73.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.513 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' SER . . . . . 0.483 ' HA ' HD23 ' A' ' 41' ' ' LEU . 49.6 m -61.85 -36.94 82.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.821 0.344 . . . . 0.0 110.73 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.25 -41.82 84.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.198 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.31 -45.64 25.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.531 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.0 mt -64.66 -43.05 96.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.784 -178.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.4 -52.07 53.9 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.858 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.27 -31.11 71.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.704 0.287 . . . . 0.0 110.838 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -54.82 -40.02 69.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.744 176.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -99.54 2.84 45.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.906 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . 0.476 ' N ' HD21 ' A' ' 88' ' ' ASN . 0.9 OUTLIER 68.46 24.16 7.23 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.961 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.663 HG23 HD12 ' A' ' 96' ' ' LEU . 99.8 t -92.67 102.82 14.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.073 175.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -127.93 -12.59 5.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.237 -174.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 99.5 mtt180 -105.12 98.41 8.12 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.418 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 71.1 m-85 70.52 121.77 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.33 0 O-C-N 123.931 0.769 . . . . 0.0 110.834 -172.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.585 ' HB2' ' HB2' ' A' ' 41' ' ' LEU . 12.3 Cg_endo -56.48 -82.6 0.01 OUTLIER 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 123.093 2.529 . . . . 0.0 112.451 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 78.69 178.17 0.13 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.414 0.626 . . . . 0.0 112.09 166.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.521 ' HG1' HD11 ' A' ' 40' ' ' LEU . 4.7 m -84.37 125.31 32.19 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.882 177.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.663 HD12 HG23 ' A' ' 89' ' ' VAL . 3.3 mm? -90.85 123.75 34.63 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 175.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . 0.645 HG11 HG21 ' A' ' 123' ' ' ILE . 38.5 t -99.86 109.37 24.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.79 -174.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -110.83 131.4 55.08 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.848 177.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.06 131.39 14.63 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.464 178.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.5 t70 65.02 20.12 12.02 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.822 0.82 . . . . 0.0 110.203 -177.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.4 7.49 78.46 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.606 -0.806 . . . . 0.0 111.968 -174.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -98.57 144.06 28.29 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 46.6 tp -93.26 109.94 21.46 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -81.46 -30.31 33.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.145 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 141.32 -172.85 23.65 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.996 177.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 95' ' ' THR . . . -98.76 172.67 7.31 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 177.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 121.057 0.456 . . . . 0.0 109.842 -178.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 C--O 1.235 0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.52 -38.07 68.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.893 -176.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.94 -46.11 71.44 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 111.223 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.7 m -75.64 -42.68 50.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.717 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -62.31 -49.16 76.72 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.017 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -61.13 -37.08 81.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.404 -174.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -69.34 -37.61 77.76 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 120.874 0.369 . . . . 0.0 111.177 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.6 t -65.99 -29.37 69.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.173 0.511 . . . . 0.0 110.157 177.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.645 HG21 HG11 ' A' ' 97' ' ' VAL . 78.7 mt -74.83 -47.3 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.173 178.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 35.1 m -86.61 25.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.014 0.435 . . . . 0.0 111.72 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--O 1.234 0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.678 178.258 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 . . . . . 0 CA--C 1.536 0.405 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . 0.512 ' O ' HG22 ' A' ' 16' ' ' THR . 1.2 ppt_? -63.94 -26.38 68.57 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -176.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.25 -30.77 60.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.087 0.47 . . . . 0.0 110.265 175.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -74.97 -25.82 59.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.975 -175.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 13' ' ' ARG . 7.2 t -57.05 -24.92 57.37 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.183 -174.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -71.54 -6.9 44.09 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.1 0.476 . . . . 0.0 111.528 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.95 17.02 11.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.53 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 48.4 m0 -88.71 135.93 33.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.784 0.326 . . . . 0.0 110.38 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -99.09 122.73 51.45 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.911 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -76.28 115.23 4.06 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.308 2.006 . . . . 0.0 111.364 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.6 m -101.45 163.48 3.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 -177.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.53 ' HB2' HG21 ' A' ' 26' ' ' THR . 35.6 mt-10 -96.88 -174.87 3.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.14 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.55 -21.72 44.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.214 0.53 . . . . 0.0 110.449 176.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 p -94.87 -59.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.331 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.53 HG21 ' HB2' ' A' ' 23' ' ' GLU . 13.6 t -67.04 -14.51 62.97 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.95 -173.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.465 HG12 HG12 ' A' ' 83' ' ' ILE . 11.4 p -62.81 -38.7 82.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.033 -178.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -69.02 -43.02 75.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.383 0.611 . . . . 0.0 109.878 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.67 -40.34 88.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.554 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -57.15 -51.54 68.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.481 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.501 ' HA ' HG23 ' A' ' 34' ' ' VAL . 94.7 mt -61.41 -41.77 91.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.82 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -60.84 -31.96 71.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.628 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.465 ' HD3' ' C ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -80.85 -45.88 16.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -178.835 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.501 HG23 ' HA ' ' A' ' 31' ' ' ILE . 21.3 m -79.45 -39.36 20.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.151 -174.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.56 -48.6 3.22 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.362 -0.447 . . . . 0.0 113.002 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -119.88 125.88 49.56 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 122.328 0.251 . . . . 0.0 110.714 -175.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.535 ' HA2' ' HB3' ' A' ' 70' ' ' TRP . . . 163.83 175.11 34.41 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.98 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.0 m -130.89 141.34 46.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.79 0.329 . . . . 0.0 110.405 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.4 mp -110.65 126.19 67.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.223 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.562 HD22 HD11 ' A' ' 58' ' ' ILE . 78.6 mt -97.73 122.41 40.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.396 177.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.4 mt -87.31 160.0 18.57 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 174.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.8 t . . . . . 0 C--N 1.324 -0.528 0 CA-C-O 120.822 0.344 . . . . 0.0 110.08 176.77 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 p . . . . . 0 C--O 1.233 0.236 0 CA-C-O 121.47 0.652 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.59 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 85.5 mtp -87.72 -4.28 58.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.655 -178.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.562 HD11 HD22 ' A' ' 40' ' ' LEU . 15.1 tt -68.56 -13.32 16.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.338 0.589 . . . . 0.0 110.31 178.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . 0.599 ' O ' ' HG3' ' A' ' 63' ' ' ARG . . . -58.09 -46.91 84.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.874 177.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' A' ' 57' ' ' MET . 12.6 pt-20 -68.94 -28.87 67.03 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.721 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.659 HD21 HD23 ' A' ' 116' ' ' LEU . 2.1 tm? -58.48 -51.27 70.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.754 175.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.414 ' HA ' HD13 ' A' ' 62' ' ' LEU . 4.2 mm? -63.59 -22.37 66.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.519 178.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.599 ' HG3' ' O ' ' A' ' 59' ' ' ALA . 43.4 mtp180 -77.3 -0.93 27.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.704 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . 0.482 ' HG3' HD12 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -80.1 -18.37 50.12 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 175.551 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -126.2 58.52 25.59 Favored Pre-proline 0 N--CA 1.453 -0.32 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.798 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -81.19 42.23 1.3 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.208 1.938 . . . . 0.0 111.461 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -97.21 -45.37 6.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.062 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.501 ' HD2' ' NE1' ' A' ' 70' ' ' TRP . 25.8 m-85 -88.57 -35.13 17.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.242 174.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.6 t70 57.82 89.91 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.229 -170.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.535 ' HB3' ' HA2' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -89.91 158.25 17.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.018 -163.714 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -97.03 123.43 40.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.693 0.283 . . . . 0.0 110.45 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.2 t -96.17 127.63 48.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.737 0.303 . . . . 0.0 110.72 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.89 153.86 37.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.267 177.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.533 HG13 ' HB2' ' A' ' 40' ' ' LEU . 27.3 m -129.31 165.54 29.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.08 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.39 136.93 54.99 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . 0.414 ' HB2' ' OE1' ' A' ' 79' ' ' GLN . 5.4 m-20 -64.41 -87.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.322 0.389 . . . . 0.0 111.701 -175.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp -130.38 -81.84 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.253 -0.279 . . . . 0.0 111.182 -178.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -59.3 -31.18 68.89 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.218 0.532 . . . . 0.0 110.807 -178.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.466 ' CG ' ' HA ' ' A' ' 23' ' ' GLU . 24.1 mp0 -54.19 -50.4 67.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.63 178.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.1 m -54.19 -43.67 70.91 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.528 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -60.45 -44.62 95.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.793 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.29 -32.77 55.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.549 -177.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.465 HG12 HG12 ' A' ' 27' ' ' VAL . 68.9 mt -66.7 -41.86 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.109 -178.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.96 -36.09 92.34 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.563 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -67.32 -44.99 77.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.341 . . . . 0.0 110.201 176.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -57.04 -42.59 80.76 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.545 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . 0.652 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 22.6 m-30 -86.28 -6.76 58.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.312 -176.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 61.48 37.64 16.42 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.19 0.519 . . . . 0.0 110.699 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.6 p -99.18 4.64 10.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.708 0.766 . . . . 0.0 109.449 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.649 ' HG2' ' H ' ' A' ' 91' ' ' ARG . 59.8 ttt180 70.24 176.65 0.28 Allowed 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.785 -176.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.649 ' H ' ' HG2' ' A' ' 90' ' ' ARG . 74.8 mtp180 -89.6 73.67 7.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.982 0.42 . . . . 0.0 111.117 -174.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -142.11 150.07 54.41 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.219 177.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -70.02 114.56 3.78 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.405 2.07 . . . . 0.0 111.823 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . 0.499 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . . . -150.49 148.32 28.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.339 -177.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.8 m -86.96 120.67 28.47 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 175.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.652 ' HG ' ' CD2' ' A' ' 87' ' ' PHE . 3.7 mm? -91.99 124.73 36.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.958 0.408 . . . . 0.0 110.227 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.6 t -99.55 117.26 44.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.798 -176.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -116.85 132.51 56.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.048 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.1 p -133.87 121.8 22.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.227 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.2 t70 58.75 21.63 9.14 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.527 0.517 . . . . 0.0 111.674 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.71 -9.66 73.3 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.774 -176.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -94.24 144.19 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.06 0.43 . . . . 0.0 110.129 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 65.6 tp -89.13 130.05 35.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.8 0.333 . . . . 0.0 110.271 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.656 ' NE ' ' HA ' ' A' ' 104' ' ' ARG . 2.3 mmp_? -92.42 -27.45 17.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.051 0.453 . . . . 0.0 110.392 176.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 131.2 -162.17 23.6 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.982 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . 0.499 ' HB1' ' HB3' ' A' ' 94' ' ' ALA . . . -99.35 152.01 20.43 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.32 -0.692 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -178.402 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 . . . . . 0 CA--C 1.522 -0.126 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.659 HD23 HD21 ' A' ' 61' ' ' LEU . 7.3 tt -59.02 -38.76 80.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.061 178.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . 0.482 HD12 ' HG3' ' A' ' 64' ' ' GLU . 3.3 mm? -59.82 -51.0 71.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.361 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.1 m -58.94 -47.27 85.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.304 -178.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.96 -49.79 59.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.377 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 27.2 ttt -67.43 -45.17 76.87 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -175.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.473 ' HA ' HG22 ' A' ' 124' ' ' VAL . 54.2 mtt-85 -64.26 -36.45 84.15 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 111.353 -176.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.7 t -60.04 -35.09 74.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.724 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.502 HG21 ' HB3' ' A' ' 104' ' ' ARG . 71.8 mt -78.58 -37.6 21.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.185 -178.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.473 HG22 ' HA ' ' A' ' 121' ' ' ARG . 35.1 m -89.08 9.27 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 111.6 -177.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.8 t70 . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 121.079 0.466 . . . . 0.0 110.618 179.214 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.4 mmt180 -59.37 -43.66 92.83 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.1 mt -65.42 -47.08 77.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.565 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.425 HD23 ' HG3' ' A' ' 21' ' ' PRO . 84.8 mt -59.74 -39.99 86.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.734 179.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.6 m -67.63 -26.79 66.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.851 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 ttp85 -77.3 -43.75 32.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.96 0.409 . . . . 0.0 110.123 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.5 -148.63 20.03 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.866 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.597 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 33.5 m0 68.97 154.28 0.11 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.491 0.662 . . . . 0.0 112.246 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -91.19 123.85 63.18 Favored Pre-proline 0 N--CA 1.45 -0.461 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.76 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.425 ' HG3' HD23 ' A' ' 15' ' ' LEU . 5.1 Cg_exo -79.05 111.53 2.94 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.827 2.351 . . . . 0.0 111.302 175.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.2 m -105.72 156.1 6.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.192 0.52 . . . . 0.0 111.616 -176.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.62 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 33.8 mt-10 -105.54 -178.83 3.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.464 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.29 -9.67 59.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.195 0.521 . . . . 0.0 110.046 174.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.8 t -99.67 -59.13 1.78 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.008 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.2 t -82.64 6.31 18.2 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -173.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.62 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.5 p -63.38 -51.59 68.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -175.096 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -74.54 -17.85 60.68 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 122.207 -0.308 . . . . 0.0 111.239 -178.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . 0.582 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 32.8 t70 -75.28 -37.06 61.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.257 0.551 . . . . 0.0 109.668 175.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -66.48 -47.53 72.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.748 174.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 27' ' ' VAL . 94.7 mt -58.42 -44.32 88.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.864 -178.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.582 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -62.75 -27.47 69.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -177.074 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -81.5 -46.27 14.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.246 0.546 . . . . 0.0 111.049 -176.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.561 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 35.4 m -78.07 -40.43 26.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.298 -177.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.57 -57.81 5.01 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 111.85 -0.5 . . . . 0.0 111.85 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.405 ' O ' ' HA ' ' A' ' 70' ' ' TRP . 46.5 m-20 -113.27 107.88 16.5 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -177.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.97 167.08 35.86 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 119.707 -1.235 . . . . 0.0 112.874 -175.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . 0.496 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 7.9 m -132.76 127.98 56.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.031 0.443 . . . . 0.0 110.632 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.568 ' HB ' ' HB2' ' A' ' 96' ' ' LEU . 4.1 mp -96.83 116.02 37.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.873 178.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.451 HD23 HG22 ' A' ' 95' ' ' THR . 53.7 mt -83.51 118.44 23.78 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 174.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.7 mt -68.31 164.19 21.3 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.9 t . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.784 -176.026 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.459 ' O ' ' HB2' ' A' ' 57' ' ' MET . 26.7 m . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.459 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 24.2 mmt 72.67 -3.07 2.46 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.627 0.579 . . . . 0.0 111.848 -178.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.9 tp -80.66 -16.28 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.209 0.528 . . . . 0.0 110.055 175.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.19 -28.4 66.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.716 -173.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.481 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 0.1 OUTLIER -71.28 -29.17 64.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.706 0.288 . . . . 0.0 111.304 -177.22 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -53.86 -48.27 70.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.837 0.827 . . . . 0.0 109.907 176.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -58.7 -33.98 70.8 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.391 -1.277 . . . . 0.0 112.207 -178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.481 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 10.7 ptp180 -89.7 15.62 9.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.056 0.455 . . . . 0.0 111.304 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.35 -8.21 53.68 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 169.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -124.1 78.3 59.37 Favored Pre-proline 0 N--CA 1.452 -0.332 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.709 -178.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -81.31 41.33 1.12 Allowed 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.156 1.904 . . . . 0.0 111.254 178.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -110.12 -24.41 10.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.433 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CD2' ' CZ2' ' A' ' 70' ' ' TRP . 1.9 m-85 -119.49 -179.67 3.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.729 173.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -125.64 93.66 3.91 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 170.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . 0.448 ' CZ2' ' CD2' ' A' ' 68' ' ' PHE . 19.1 m95 -79.91 139.39 37.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.019 -168.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . 0.561 ' OE1' ' HB ' ' A' ' 34' ' ' VAL . 27.6 mp0 -111.48 128.19 55.93 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.031 169.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.597 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 22.5 t -99.5 134.9 37.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 120.898 0.38 . . . . 0.0 110.412 -178.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.75 161.57 27.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.823 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.7 m -134.53 165.61 30.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.618 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.93 148.55 43.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.041 -178.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.65 174.27 1.06 Allowed 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.545 0.528 . . . . 0.0 111.501 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.7 mt -57.42 -40.87 79.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.061 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -77.29 -48.14 18.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.613 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -61.18 -32.07 71.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.336 -175.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.4 p -65.92 -34.43 78.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -176.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -73.97 -41.88 61.31 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.015 176.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.62 -46.1 91.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.898 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.2 mt -67.5 -35.77 74.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.411 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.8 -35.93 90.95 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.001 -0.618 . . . . 0.0 111.843 175.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -76.77 -37.34 56.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.098 0.475 . . . . 0.0 110.546 177.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -54.61 -42.54 71.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.641 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -102.1 -0.92 32.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.662 0.268 . . . . 0.0 110.91 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 58.32 54.73 5.48 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.448 0.642 . . . . 0.0 110.802 -178.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.25 -15.09 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.739 -177.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' A' ' 91' ' ' ARG . 14.5 tpp85 72.15 21.79 3.83 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.332 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 90' ' ' ARG . 86.6 mtt180 72.01 -168.1 0.14 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.959 177.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.411 ' H ' ' HB3' ' A' ' 91' ' ' ARG . 97.5 m-85 73.32 145.34 0.11 Allowed Pre-proline 0 N--CA 1.468 0.453 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.111 -176.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -63.21 124.85 14.59 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.647 2.231 . . . . 0.0 112.61 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -162.01 153.47 18.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.16 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.461 ' CG2' ' HB ' ' A' ' 38' ' ' VAL . 15.9 m -90.85 134.05 34.75 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.344 174.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.568 ' HB2' ' HB ' ' A' ' 39' ' ' ILE . 3.8 mm? -90.46 124.14 34.73 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.535 177.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 42.3 t -99.03 116.01 41.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.474 -174.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -120.74 136.13 54.96 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.779 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.2 p -140.15 133.47 29.85 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.16 14.37 2.0 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.811 0.844 . . . . 0.0 112.433 -179.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.75 -8.08 68.18 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.285 -177.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -97.57 144.8 26.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.997 0.427 . . . . 0.0 111.76 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.4 tp -76.57 131.14 38.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.377 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.532 ' HB3' ' CG2' ' A' ' 123' ' ' ILE . 1.9 mmp_? -100.27 -34.85 9.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.697 176.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 150.6 -161.28 28.93 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.52 -0.847 . . . . 0.0 112.295 178.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -117.97 138.15 52.37 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.419 ' HB3' ' HB ' ' A' ' 95' ' ' THR . 44.4 tp . . . . . 0 C--N 1.322 -0.598 0 CA-C-O 121.142 0.496 . . . . 0.0 110.047 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 121.269 0.557 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.3 tt -57.9 -38.44 75.84 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.168 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 89.0 mt -54.44 -54.91 34.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.008 -178.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 48.1 m -65.2 -43.33 91.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.203 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -61.4 -49.74 75.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.456 -177.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' MET . . . . . 0.484 ' O ' HG22 ' A' ' 124' ' ' VAL . 14.5 tpt -64.48 -46.87 81.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.094 -178.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -64.03 -30.34 71.42 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.052 0.453 . . . . 0.0 111.303 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.1 t -59.47 -31.03 68.96 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.877 175.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.532 ' CG2' ' HB3' ' A' ' 104' ' ' ARG . 50.0 mt -91.49 -48.79 13.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.265 -177.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 120' ' ' MET . 28.4 m -89.37 35.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.089 0.471 . . . . 0.0 111.378 -177.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.4 t70 . . . . . 0 N--CA 1.466 0.368 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.072 -176.765 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 . . . . . 0 CA--C 1.536 0.407 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -59.8 -38.39 81.81 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.723 0.297 . . . . 0.0 111.582 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.614 HD11 HG11 ' A' ' 74' ' ' VAL . 53.9 mt -66.4 -41.01 89.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.922 0.392 . . . . 0.0 110.142 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.28 -34.65 76.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.709 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.1 m -61.36 -27.44 68.52 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.467 -177.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -88.4 4.37 46.56 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.765 0.316 . . . . 0.0 111.634 -177.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.61 25.26 47.27 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.887 -0.673 . . . . 0.0 113.24 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' TRP . . . . . 0.448 ' HE3' HG23 ' A' ' 74' ' ' VAL . 53.3 m0 -84.94 141.74 30.15 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.11 0.481 . . . . 0.0 111.148 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -89.22 136.14 30.56 Favored Pre-proline 0 N--CA 1.447 -0.599 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.872 -177.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -82.97 118.43 2.71 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.399 2.066 . . . . 0.0 111.637 173.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.457 HG12 ' HB3' ' A' ' 73' ' ' ALA . 12.9 m -104.45 155.35 6.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.898 0.38 . . . . 0.0 111.105 -178.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . 0.563 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 49.5 mt-10 -125.23 172.38 9.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.662 -177.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.58 -23.9 63.61 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -173.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.1 t -94.35 -14.12 25.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.713 0.292 . . . . 0.0 111.653 -176.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.505 HG22 ' HB2' ' A' ' 23' ' ' GLU . 8.4 t -121.08 -8.36 9.31 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.555 -0.458 . . . . 0.0 111.896 -176.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 31' ' ' ILE . 7.7 p -59.11 -46.02 92.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 121.282 -0.167 . . . . 0.0 111.4 -176.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -70.46 -30.36 67.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 0.0 110.607 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -73.95 -36.73 64.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.181 0.515 . . . . 0.0 110.209 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -65.95 -44.04 86.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.932 175.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 27' ' ' VAL . 87.9 mt -59.4 -40.41 81.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.27 176.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -61.15 -31.24 70.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.787 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 33' ' ' ARG . 2.2 tmm_? -79.89 -44.51 20.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -176.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.2 m -85.91 -41.59 15.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.182 -175.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.456 ' HA2' ' HA2' ' A' ' 101' ' ' GLY . . . 82.37 -52.51 4.67 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.727 -176.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -126.11 133.66 51.57 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.825 0.345 . . . . 0.0 110.093 -176.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.4 -171.68 40.74 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.067 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.3 m -136.06 137.19 48.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.232 0.539 . . . . 0.0 111.356 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.433 HD13 ' CD2' ' A' ' 98' ' ' PHE . 2.5 mp -106.32 125.35 62.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.224 175.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.474 HD23 HG12 ' A' ' 58' ' ' ILE . 71.6 mt -98.1 123.48 42.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.49 -178.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.63 159.91 25.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.98 0.419 . . . . 0.0 110.787 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.6 t . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.341 -179.64 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.422 ' O ' ' HB3' ' A' ' 57' ' ' MET . 27.6 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.661 -0.126 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' MET . . . . . 0.422 ' HB3' ' O ' ' A' ' 56' ' ' VAL . 56.8 ttp 81.47 -13.27 0.91 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.888 0.875 . . . . 0.0 110.62 -179.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.474 HG12 HD23 ' A' ' 40' ' ' LEU . 1.7 mp -71.28 -31.15 42.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.46 176.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.73 -55.27 32.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.866 0.365 . . . . 0.0 111.042 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.715 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 1.6 pm0 -63.45 -29.08 70.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.645 177.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.436 HD23 ' CD2' ' A' ' 116' ' ' LEU . 2.1 tm? -58.41 -45.15 88.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.323 0.582 . . . . 0.0 110.909 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 90.9 mt -48.94 -32.15 8.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.819 -1.082 . . . . 0.0 113.676 -174.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.715 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 14.7 ptt180 -74.39 -0.95 18.93 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -175.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.33 -30.52 33.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -118.3 88.31 32.59 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.225 -174.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -88.08 42.87 0.76 Allowed 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.697 2.265 . . . . 0.0 111.12 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -85.39 -41.56 15.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.098 -177.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.02 -178.73 7.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.632 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -88.7 107.2 18.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.766 0.317 . . . . 0.0 110.538 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -82.95 139.08 33.55 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.289 0.566 . . . . 0.0 110.596 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -121.88 139.94 53.02 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.153 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.5 t -112.86 132.17 62.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.981 0.42 . . . . 0.0 110.958 -173.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.457 ' HB3' HG12 ' A' ' 22' ' ' VAL . . . -133.86 146.6 50.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.99 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' VAL . . . . . 0.614 HG11 HD11 ' A' ' 14' ' ' LEU . 10.2 t -131.55 160.18 42.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.893 0.378 . . . . 0.0 110.886 -174.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . . . -121.35 143.07 49.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.732 174.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.22 -65.95 0.63 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 111.469 -176.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.585 HD11 ' N ' ' A' ' 78' ' ' GLU . 1.5 pp -165.74 -32.54 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.222 177.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLU . . . . . 0.585 ' N ' HD11 ' A' ' 77' ' ' LEU . 8.8 tp10 -67.22 -53.09 33.34 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.481 0.657 . . . . 0.0 110.619 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.563 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 10.0 mp0 -72.68 -37.36 67.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.432 -174.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.2 p -61.14 -37.0 81.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.333 -178.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -61.92 -42.29 98.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.223 0.535 . . . . 0.0 109.992 177.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.29 -49.31 28.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.011 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.36 -47.15 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.908 -176.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.29 -45.82 95.41 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.118 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -71.34 -32.04 68.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.934 0.397 . . . . 0.0 110.715 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -60.38 -49.06 79.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.097 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -87.25 -0.46 56.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.131 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 10.0 m120 64.32 27.78 13.76 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.134 175.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.408 HG23 HD12 ' A' ' 96' ' ' LEU . 47.2 t -87.89 78.38 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.132 0.492 . . . . 0.0 111.736 -172.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 51.92 -151.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.999 172.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ARG . . . . . 0.494 ' HD3' ' HA ' ' A' ' 91' ' ' ARG . 11.5 mmt180 -143.92 35.1 1.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.782 0.325 . . . . 0.0 111.353 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' PHE . . . . . 0.514 ' HB2' ' HD2' ' A' ' 93' ' ' PRO . 54.6 p90 -138.42 159.7 66.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' PRO . . . . . 0.514 ' HD2' ' HB2' ' A' ' 92' ' ' PHE . 11.7 Cg_endo -55.21 126.21 21.78 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.034 2.489 . . . . 0.0 112.651 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -152.01 136.25 16.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.203 -177.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.463 HG22 HD21 ' A' ' 40' ' ' LEU . 49.4 m -79.0 130.07 35.13 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 174.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.408 HD12 HG23 ' A' ' 89' ' ' VAL . 3.3 mm? -91.52 124.42 35.67 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 28.9 t -97.72 105.87 17.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.324 -176.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' PHE . . . . . 0.51 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 30.7 m-85 -106.16 132.0 52.74 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.779 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 p -155.28 148.23 24.53 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.204 -178.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.7 t70 66.14 19.75 11.13 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.366 0.603 . . . . 0.0 109.928 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' GLY . . . . . 0.456 ' HA2' ' HA2' ' A' ' 35' ' ' GLY . . . 77.41 4.46 84.36 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.544 -176.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -128.71 166.21 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.035 0.445 . . . . 0.0 111.289 -173.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.51 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 65.6 tp -91.01 133.52 35.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.155 178.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -102.14 -32.26 10.2 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.858 0.361 . . . . 0.0 110.679 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 159.63 -171.81 36.11 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.989 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -107.53 156.43 19.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.711 0.291 . . . . 0.0 110.272 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.499 HD12 ' HG ' ' A' ' 116' ' ' LEU . 31.3 tp . . . . . 0 C--N 1.322 -0.617 0 CA-C-O 121.216 0.531 . . . . 0.0 110.743 -177.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 120.822 0.344 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' LEU . . . . . 0.499 ' HG ' HD12 ' A' ' 107' ' ' LEU . 6.8 tt -50.25 -42.11 51.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.036 176.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.88 -56.23 24.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.711 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.1 m -58.63 -47.64 83.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.38 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' LEU . . . . . 0.46 ' O ' HG13 ' A' ' 123' ' ' ILE . 4.3 mm? -66.06 -49.91 66.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.742 -176.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 43.6 mtp -70.58 -33.88 71.57 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.784 -176.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.5 ' HA ' HG22 ' A' ' 124' ' ' VAL . 66.6 mtt180 -64.99 -36.49 84.57 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.711 177.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.3 t -67.51 -35.85 79.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.779 175.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 119' ' ' LEU . 75.4 mt -66.51 -46.13 87.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.087 178.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' VAL . . . . . 0.5 HG22 ' HA ' ' A' ' 121' ' ' ARG . 33.5 m -81.4 35.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.253 0.549 . . . . 0.0 111.636 -177.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.525 177.715 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.9 mtp . . . . . 0 N--CA 1.483 1.211 0 CA-C-O 120.713 0.292 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.89 -160.33 0.78 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.715 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -105.59 7.5 32.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.066 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.2 t70 65.95 123.06 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 O-C-N 123.753 0.658 . . . . 0.0 110.764 -173.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.8 t -137.4 110.7 8.98 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-O 121.364 0.602 . . . . 0.0 111.921 -174.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -80.23 104.01 1.6 Allowed 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 122.929 2.419 . . . . 0.0 110.785 172.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -55.41 -40.52 71.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.076 -175.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 63.9 p -157.56 175.37 14.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.584 0.231 . . . . 0.0 110.728 -179.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.89 -28.58 67.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.195 0.521 . . . . 0.0 110.253 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.408 HD13 ' N ' ' A' ' 10' ' ' LEU . 5.6 mp -70.42 -28.02 64.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.916 177.639 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.484 ' CZ3' ' HA ' ' A' ' 76' ' ' ASP . 52.7 t-105 -85.23 -50.76 7.1 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.192 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -58.63 -24.6 61.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.507 -174.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.688 ' HG3' HD22 ' A' ' 14' ' ' LEU . 20.9 ptt180 -60.28 -29.87 69.1 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.811 178.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.688 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.8 mm? -70.59 -35.79 73.21 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-O 120.929 0.395 . . . . 0.0 110.103 176.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.08 -26.61 65.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.156 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.9 m -67.96 -27.55 66.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.299 175.27 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 17' ' ' ARG . 22.2 ttm-85 -82.08 -32.78 30.14 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.277 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.77 -146.46 18.47 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.536 -0.757 . . . . 0.0 112.224 173.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.722 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 27.0 m0 68.58 158.31 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.908 0.883 . . . . 0.0 113.009 175.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -98.98 131.7 24.96 Favored Pre-proline 0 N--CA 1.449 -0.475 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.001 -177.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -79.32 119.1 4.09 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 122.322 2.015 . . . . 0.0 111.52 173.536 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.3 m -122.39 164.25 19.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.013 0.435 . . . . 0.0 111.988 -175.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.513 ' HB2' HG22 ' A' ' 26' ' ' THR . 45.1 mt-10 -111.88 174.42 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 176.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.31 72.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.886 0.374 . . . . 0.0 110.736 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.3 t -80.85 -58.12 3.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.42 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.513 HG22 ' HB2' ' A' ' 23' ' ' GLU . 14.4 t -73.67 -6.18 45.18 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -171.222 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.469 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.5 p -67.65 -26.54 35.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.61 -53.25 58.8 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.437 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -65.61 -35.87 82.07 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.905 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -58.6 -50.54 73.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.525 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 27' ' ' VAL . 85.9 mt -58.97 -47.34 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.575 -178.369 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -27.52 69.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.172 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.515 ' HD3' ' O ' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -81.61 -45.14 16.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.68 0.276 . . . . 0.0 110.634 -179.168 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.502 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 34.6 m -76.95 -39.31 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.761 -175.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.73 -56.57 5.04 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 121.108 -0.567 . . . . 0.0 112.257 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -123.32 122.08 37.42 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -176.101 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.52 -177.33 48.31 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 120.071 -1.062 . . . . 0.0 112.827 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.443 ' HB ' ' CG2' ' A' ' 95' ' ' THR . 14.2 m -139.69 135.92 39.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.043 0.449 . . . . 0.0 110.605 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.402 HD11 ' N ' ' A' ' 39' ' ' ILE . 3.4 mp -102.63 125.39 56.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.3 mt -93.45 118.71 31.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.792 176.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 80' ' ' SER . 88.5 mt -84.15 173.92 10.66 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.5 t -56.95 102.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.887 ' HA ' ' HB3' ' A' ' 93' ' ' PRO . 19.3 p -84.01 -104.13 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -170.2 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.402 ' CG ' ' H ' ' A' ' 54' ' ' ASN . 5.6 p-10 -90.21 123.59 65.36 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-O 121.312 0.577 . . . . 0.0 111.613 -172.697 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -81.91 172.85 11.66 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.775 2.317 . . . . 0.0 111.801 175.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 4.7 ptp85 -70.28 153.75 42.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.675 179.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -123.82 -105.49 0.36 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.561 ' HB ' ' HD3' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -144.66 -55.88 0.02 OUTLIER Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 174.477 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.561 ' HD3' ' HB ' ' A' ' 48' ' ' THR . 1.0 OUTLIER -86.11 174.42 6.28 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.712 2.274 . . . . 0.0 110.694 168.343 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -84.11 51.09 1.98 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.519 0.676 . . . . 0.0 111.221 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.6 p -92.29 17.61 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.942 0.877 . . . . 0.0 109.629 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.5 p -72.44 177.15 4.78 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.955 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.401 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 12.1 m-20 -113.1 -69.19 0.88 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.621 -178.208 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.414 HD21 ' N ' ' A' ' 54' ' ' ASN . 0.9 OUTLIER 70.04 134.69 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.47 0 O-C-N 123.739 0.65 . . . . 0.0 110.734 -177.518 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.67 93.06 0.31 Allowed 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.615 2.21 . . . . 0.0 113.36 -176.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 m -130.0 -21.97 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.767 176.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.4 ptt? -92.18 -4.97 53.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.044 0.449 . . . . 0.0 110.76 -176.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.0 tp -72.88 -21.51 19.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.308 0.575 . . . . 0.0 110.078 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.17 -46.69 76.51 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.456 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.665 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 11.7 pt-20 -70.01 -29.25 66.27 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.696 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.12 -51.93 67.02 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 173.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.1 tt -55.21 -42.7 73.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.211 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.665 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 5.2 ptp180 -80.22 -8.98 59.7 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -176.038 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -83.21 -17.95 40.98 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.486 ' HE2' ' SD ' ' A' ' 120' ' ' MET . 20.0 m-85 -119.9 73.18 17.9 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.857 175.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -82.48 9.96 3.79 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.819 2.346 . . . . 0.0 112.609 -173.609 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -71.84 -35.31 69.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.404 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.523 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 4.5 m-85 -112.79 160.07 18.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.083 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -102.81 97.35 7.51 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 173.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.523 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 12.1 m95 -84.78 136.28 33.76 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.423 -171.588 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.502 ' OE1' ' HB ' ' A' ' 34' ' ' VAL . 28.0 mp0 -102.45 130.65 49.3 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 170.003 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.722 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 22.7 t -104.97 137.06 36.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.44 158.99 33.02 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.762 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 13.7 m -118.14 134.4 61.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.883 177.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.601 ' O ' ' HB2' ' A' ' 79' ' ' GLN . . . -102.27 24.54 10.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.166 -172.808 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.581 ' CG ' ' H ' ' A' ' 77' ' ' LEU . 18.8 t70 54.66 -157.8 0.2 Allowed 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.581 ' H ' ' CG ' ' A' ' 76' ' ' ASP . 6.2 mp -101.15 -35.89 9.15 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 177.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -77.11 -53.8 7.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.035 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.601 ' HB2' ' O ' ' A' ' 75' ' ' ALA . 63.5 mm-40 -57.91 -33.65 69.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.888 -174.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.451 ' HA ' HD23 ' A' ' 41' ' ' LEU . 72.4 m -53.01 -33.89 53.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.356 178.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . 0.549 ' HG3' ' HD2' ' A' ' 91' ' ' ARG . 38.2 tt0 -72.82 -42.95 63.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.633 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.11 -42.2 60.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.873 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.463 HD13 ' HB1' ' A' ' 75' ' ' ALA . 60.0 mt -64.59 -44.24 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 178.385 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.468 ' HA2' HG11 ' A' ' 89' ' ' VAL . . . -60.56 -39.07 95.94 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.026 178.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -62.72 -46.11 89.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.822 0.344 . . . . 0.0 110.485 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -62.34 -42.41 99.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.222 -177.029 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -92.18 5.29 50.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.988 0.423 . . . . 0.0 111.337 -175.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 12.3 m120 68.05 34.5 4.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.3 170.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.468 HG11 ' HA2' ' A' ' 84' ' ' GLY . 8.0 p -95.06 9.88 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 122.076 0.941 . . . . 0.0 108.462 173.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 72.56 -81.85 0.03 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-N 113.907 -1.497 . . . . 0.0 110.938 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.549 ' HD2' ' HG3' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -171.58 19.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.338 . . . . 0.0 110.746 -179.448 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -104.58 155.62 37.12 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.263 -175.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.887 ' HB3' ' HA ' ' A' ' 43' ' ' SER . 27.8 Cg_exo -62.24 126.07 17.76 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.035 2.49 . . . . 0.0 112.131 178.246 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.46 ' HB2' HG21 ' A' ' 89' ' ' VAL . . . -164.56 157.13 16.72 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.135 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.443 ' CG2' ' HB ' ' A' ' 38' ' ' VAL . 22.6 m -95.32 136.6 35.47 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.22 174.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.11 124.78 35.59 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 38.2 t -92.74 106.15 17.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.552 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.452 ' CZ ' HD12 ' A' ' 103' ' ' LEU . 23.5 m-85 -117.41 123.21 45.87 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.24 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 33.6 p -144.34 153.8 42.37 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 177.018 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.519 ' O ' ' HB3' ' A' ' 130' ' ' GLN . 8.9 m-20 64.5 14.48 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.339 0.4 . . . . 0.0 110.852 175.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.464 ' HA3' ' NE2' ' A' ' 130' ' ' GLN . . . 69.82 23.54 76.83 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.254 -173.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -138.76 154.78 48.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.95 0.405 . . . . 0.0 110.795 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.452 HD12 ' CZ ' ' A' ' 98' ' ' PHE . 57.7 tp -80.19 122.99 27.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.009 0.433 . . . . 0.0 111.437 -177.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.487 ' HB3' HG21 ' A' ' 123' ' ' ILE . 20.2 mmt180 -89.4 -33.74 16.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.164 175.081 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 147.89 -159.15 27.94 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.845 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -124.85 163.08 22.96 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.17 77.05 1.01 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.6 t -100.57 112.52 24.91 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 103.83 -178.42 24.89 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 -172.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.678 HG13 ' HG ' ' A' ' 119' ' ' LEU . 40.7 mm 54.11 87.69 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 121.351 0.596 . . . . 0.0 110.749 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.491 ' HB3' ' HD3' ' A' ' 112' ' ' PRO . 27.0 t60 -97.22 -48.65 0.23 Allowed Pre-proline 0 C--N 1.319 -0.745 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -173.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.491 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 11.7 Cg_exo -72.63 168.05 25.5 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.006 1.804 . . . . 0.0 112.3 176.333 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.412 ' CH2' ' HG3' ' A' ' 60' ' ' GLU . 5.6 t-105 -76.03 -164.65 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.504 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 68.27 -69.13 0.15 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.498 0.719 . . . . 0.0 111.124 -176.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -65.95 -35.65 81.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.502 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.426 ' HA ' HG23 ' A' ' 110' ' ' ILE . 4.0 tt -59.27 -40.12 85.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.449 -178.814 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 85.1 mt -57.97 -57.71 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.701 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 45.6 m -64.42 -39.7 94.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.497 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.678 ' HG ' HG13 ' A' ' 110' ' ' ILE . 2.0 tm? -62.15 -50.65 71.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 110.181 -179.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.493 ' O ' HG23 ' A' ' 124' ' ' VAL . 27.2 ttt -68.77 -38.94 80.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.255 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -60.84 -36.07 78.18 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 122.245 0.218 . . . . 0.0 111.552 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.9 t -59.34 -30.69 68.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.659 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.487 HG21 ' HB3' ' A' ' 104' ' ' ARG . 54.3 mt -86.68 -41.58 14.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.746 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 120' ' ' MET . 35.7 m -97.0 33.4 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.026 0.441 . . . . 0.0 111.114 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.23 -49.22 78.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.636 -175.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 3.6 p -126.11 134.14 25.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -178.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -61.51 163.23 18.51 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.964 2.442 . . . . 0.0 111.523 173.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -140.64 -167.37 2.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.957 0.408 . . . . 0.0 111.255 -175.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -129.74 136.79 50.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.898 177.196 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.519 ' HB3' ' O ' ' A' ' 100' ' ' ASP . 3.5 pt20 -83.91 154.33 23.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 -177.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -58.03 -34.02 69.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.784 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 40.0 m 66.31 82.87 0.18 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.226 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.7 p -141.65 89.01 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 122.071 0.939 . . . . 0.0 109.563 175.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -116.34 93.75 4.36 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.026 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -95.88 99.07 10.91 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 177.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -108.59 146.26 33.6 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -125.99 153.11 44.8 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.462 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -91.66 -73.68 0.53 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 174.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -146.14 92.21 2.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.802 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -77.13 -29.9 54.91 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 173.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -178.65 -34.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.346 -1.297 . . . . 0.0 108.144 172.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 4.9 p80 . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.389 -0.823 . . . . 0.0 108.948 172.311 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.633 ' HA ' HG22 ' A' ' 26' ' ' THR . 4.5 mpp? . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 120.783 0.325 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.19 148.62 26.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.519 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -58.45 -54.11 50.7 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 174.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -178.84 -51.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.607 174.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 m 56.71 70.29 1.47 Allowed Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.804 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -78.97 -58.87 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.801 2.334 . . . . 0.0 111.737 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -125.91 109.28 12.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.901 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.3 t -177.42 96.08 0.04 OUTLIER 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.424 174.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.48 -30.62 59.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.58 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.582 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 47.2 tp -66.14 -40.09 90.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.734 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 55.9 t-105 -72.78 -51.78 17.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.702 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -52.36 -33.26 42.33 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.484 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.582 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 21.2 ptt180 -66.16 -26.65 67.52 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.599 0.238 . . . . 0.0 111.159 -176.289 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.632 HD11 HG22 ' A' ' 56' ' ' VAL . 4.0 mm? -73.97 -37.96 64.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.066 0.46 . . . . 0.0 110.447 176.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.509 ' HA ' ' HB2' ' A' ' 19' ' ' TRP . 70.7 mt -66.52 -27.16 67.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.698 -175.062 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.483 HG23 ' O ' ' A' ' 13' ' ' ARG . 4.1 t -59.25 -25.63 64.22 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -173.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -76.78 4.72 9.05 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.715 0.293 . . . . 0.0 111.477 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.58 29.78 8.05 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.48 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.509 ' HB2' ' HA ' ' A' ' 15' ' ' LEU . 36.2 m0 -96.49 131.2 43.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.067 0.461 . . . . 0.0 110.312 -178.347 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -98.84 121.28 56.54 Favored Pre-proline 0 N--CA 1.445 -0.695 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.76 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.504 ' HD3' HD23 ' A' ' 15' ' ' LEU . 37.3 Cg_endo -68.59 132.88 26.31 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 121.997 1.798 . . . . 0.0 110.155 170.458 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.4 m -123.92 166.68 18.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.675 0.75 . . . . 0.0 112.675 -174.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.532 ' HB2' HG21 ' A' ' 26' ' ' THR . 52.3 mt-10 -119.69 175.7 5.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.307 -1.315 . . . . 0.0 108.599 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.8 -30.03 66.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.236 0.541 . . . . 0.0 110.391 176.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.3 t -78.29 -53.71 7.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.389 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.633 HG22 ' HA ' ' A' ' 1' ' ' MET . 14.5 t -79.11 -13.22 59.87 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -172.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.467 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.8 p -62.18 -32.71 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 176.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.3 -47.82 84.4 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.277 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.535 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 12.9 t70 -68.0 -45.33 74.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.868 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 78.6 t90 -58.31 -46.2 86.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 -178.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.414 HG13 ' O ' ' A' ' 27' ' ' VAL . 96.4 mt -57.94 -52.36 59.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.235 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.535 ' HE3' ' HA ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -70.86 -20.64 62.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.963 0.411 . . . . 0.0 111.113 -177.562 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -72.98 -46.43 52.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.154 0.502 . . . . 0.0 110.954 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.7 m -88.18 -36.79 9.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.089 -177.273 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.66 -50.26 4.33 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.607 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -124.69 133.78 53.09 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.9 -175.74 42.08 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.198 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.8 m -131.05 139.74 50.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.186 0.517 . . . . 0.0 111.368 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.44 ' HB ' ' HB2' ' A' ' 96' ' ' LEU . 70.4 mt -109.17 123.77 65.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.406 175.03 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.443 HD13 HG23 ' A' ' 58' ' ' ILE . 76.5 mt -98.42 127.17 44.24 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 74.3 mt -77.26 157.01 31.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 174.549 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.7 t -61.66 125.61 24.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.327 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.8 m -70.57 141.49 51.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.318 174.155 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.1 t70 64.44 75.42 0.37 Allowed Pre-proline 0 N--CA 1.464 0.232 0 O-C-N 123.696 0.622 . . . . 0.0 110.718 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.28 -37.81 0.14 Allowed 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.945 2.43 . . . . 0.0 111.523 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -174.38 158.51 2.9 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 67.12 -142.88 0.14 Allowed 'General case' 0 C--O 1.233 0.189 0 O-C-N 123.597 0.561 . . . . 0.0 109.747 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.2 p -71.75 137.2 82.81 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 120.413 0.149 . . . . 0.0 111.068 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.5 169.35 15.88 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.612 2.208 . . . . 0.0 111.611 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -66.21 121.9 16.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.058 0.456 . . . . 0.0 110.35 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.2 p -115.97 -9.41 12.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.044 -175.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.5 m -62.88 -46.85 85.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.778 0.323 . . . . 0.0 110.882 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -158.08 -167.27 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -124.12 113.75 27.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 120.632 0.253 . . . . 0.0 110.767 -177.497 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -58.65 -16.11 28.96 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.993 2.462 . . . . 0.0 112.824 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.632 HG22 HD11 ' A' ' 14' ' ' LEU . 23.9 t -61.93 -32.3 53.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.143 0.497 . . . . 0.0 110.571 178.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 26.5 mmt -95.59 11.1 34.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.904 -174.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.443 HG23 HD13 ' A' ' 40' ' ' LEU . 10.8 tt -80.87 -14.05 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.707 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.78 75.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.814 -176.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -73.44 -28.05 61.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.179 -179.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.579 HD23 HD22 ' A' ' 116' ' ' LEU . 1.8 tm? -57.3 -45.26 84.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.162 0.506 . . . . 0.0 110.397 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.96 -27.04 60.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.794 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -74.55 -12.35 60.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.066 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -79.9 -19.61 47.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.877 0.37 . . . . 0.0 110.31 -174.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -120.5 70.63 17.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.143 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -81.85 42.94 1.41 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.315 2.01 . . . . 0.0 112.411 -174.233 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -91.57 -40.61 11.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.332 0.587 . . . . 0.0 109.493 178.248 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.406 ' HD2' ' CE2' ' A' ' 70' ' ' TRP . 2.2 m-85 -113.48 174.17 6.05 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.28 -179.527 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -97.4 89.56 4.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.163 0.506 . . . . 0.0 109.725 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.406 ' CE2' ' HD2' ' A' ' 68' ' ' PHE . 51.1 m95 -79.75 143.52 34.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.997 -176.735 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -133.07 155.38 49.33 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.239 172.075 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.9 t -109.98 127.96 66.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.133 0.492 . . . . 0.0 111.117 -175.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -119.22 141.8 48.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.38 174.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.453 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 15.4 m -120.57 135.96 59.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.161 0.505 . . . . 0.0 110.921 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.421 ' HB1' ' HA ' ' A' ' 80' ' ' SER . . . -91.93 128.31 37.72 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.541 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.529 ' HB3' ' OE1' ' A' ' 79' ' ' GLN . 17.0 t70 -64.92 159.05 23.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.003 177.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp -51.99 -33.86 40.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.919 0.39 . . . . 0.0 111.722 -176.48 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -78.03 -52.3 9.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.166 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.529 ' OE1' ' HB3' ' A' ' 76' ' ' ASP . 25.0 mp0 -74.93 -24.7 58.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -172.211 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.421 ' HA ' ' HB1' ' A' ' 75' ' ' ALA . 61.3 p -53.83 -40.02 66.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.085 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -62.14 -51.73 66.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.667 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.57 -38.36 87.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.287 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.1 mt -65.75 -52.96 43.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.809 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.13 -31.56 81.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.909 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.48 -41.2 84.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.696 0.284 . . . . 0.0 110.827 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -60.55 -39.82 89.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -83.62 0.53 46.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.469 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 60.57 30.68 19.92 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.119 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.605 HG22 HD13 ' A' ' 96' ' ' LEU . 57.5 t -86.55 -63.61 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.178 175.655 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.416 ' HG2' ' H ' ' A' ' 91' ' ' ARG . 37.3 ttm180 61.85 179.21 0.12 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.564 176.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.416 ' H ' ' HG2' ' A' ' 90' ' ' ARG . 24.6 mmt180 74.17 -134.61 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.891 0.476 . . . . 0.0 111.626 175.727 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.532 ' HB3' ' HD2' ' A' ' 93' ' ' PRO . 65.2 m-85 -75.31 161.61 76.2 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.427 -173.256 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.532 ' HD2' ' HB3' ' A' ' 92' ' ' PHE . 10.3 Cg_endo -53.95 125.72 19.64 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.021 2.481 . . . . 0.0 112.374 178.495 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.812 ' HA ' ' HA ' ' A' ' 108' ' ' SER . . . -131.54 134.55 46.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.55 -177.694 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.4 m -76.57 124.7 28.02 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 172.127 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.605 HD13 HG22 ' A' ' 89' ' ' VAL . 3.4 mm? -91.15 125.22 35.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.899 0.38 . . . . 0.0 110.25 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 62.7 t -95.4 104.51 15.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.444 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.429 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 21.2 m-85 -109.94 127.39 54.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.472 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.2 p -145.32 136.92 25.3 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.961 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.1 t0 62.57 23.82 14.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.531 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.62 11.96 82.76 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 120.983 -0.627 . . . . 0.0 113.037 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.505 ' HG3' ' OE1' ' A' ' 131' ' ' GLU . 1.5 tmtp? -122.17 143.14 49.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.253 0.527 . . . . 0.0 110.392 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.454 ' N ' ' HD3' ' A' ' 102' ' ' LYS . 68.6 tp -82.35 115.04 21.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.383 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -85.4 -26.64 26.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.614 -177.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 157.03 -177.74 33.77 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.05 176.506 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.438 ' HB2' ' HB2' ' A' ' 94' ' ' ALA . . . -110.68 148.47 32.2 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 178.051 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -95.24 -41.49 9.03 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.4 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.812 ' HA ' ' HA ' ' A' ' 94' ' ' ALA . 24.2 m 67.44 145.06 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.392 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -74.69 10.63 8.47 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.92 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 16.1 tt -89.07 -9.84 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.083 0.468 . . . . 0.0 110.453 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -106.24 117.91 56.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.171 176.554 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -85.47 -167.66 0.43 Allowed 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.793 2.328 . . . . 0.0 112.859 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.464 ' CH2' HD21 ' A' ' 61' ' ' LEU . 3.0 t-105 -69.64 -170.64 0.32 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.476 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 69.71 -69.43 0.17 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.293 0.637 . . . . 0.0 111.357 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -73.56 -25.66 60.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.878 0.371 . . . . 0.0 110.605 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.579 HD22 HD23 ' A' ' 61' ' ' LEU . 6.9 tt -52.04 -40.07 60.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.578 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.48 -36.26 75.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.338 -178.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.0 m -85.93 -50.29 7.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.874 0.369 . . . . 0.0 111.135 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.81 -49.66 74.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.893 -175.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 28.3 ttt -76.02 -34.9 59.69 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.467 -173.487 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.541 ' HA ' HG23 ' A' ' 124' ' ' VAL . 28.7 ttt180 -62.7 -43.53 98.56 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.48 -178.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.3 m -57.14 -30.68 64.63 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.174 0.512 . . . . 0.0 111.2 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 50.4 mm -80.78 -42.05 20.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.01 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.541 HG23 ' HA ' ' A' ' 121' ' ' ARG . 14.8 m -84.27 -12.54 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.659 -175.822 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -69.69 -35.09 74.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 40.0 p 47.98 80.31 0.3 Allowed Pre-proline 0 N--CA 1.465 0.318 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.089 -177.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.88 -30.78 39.72 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.55 2.167 . . . . 0.0 112.43 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -151.27 152.62 33.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.184 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -138.62 -70.99 0.42 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.811 178.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 57.01 25.25 10.48 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.62 0.724 . . . . 0.0 110.089 -176.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.505 ' OE1' ' HG3' ' A' ' 102' ' ' LYS . 36.2 tt0 -129.12 107.88 9.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.417 -173.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 11.5 t -122.09 -7.41 8.86 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.365 168.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 28.7 m -106.98 136.86 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.317 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -130.61 165.97 21.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.25 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.506 HD13 ' N ' ' A' ' 136' ' ' GLU . 2.2 tm? -66.34 140.04 58.07 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 174.08 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.506 ' N ' HD13 ' A' ' 135' ' ' LEU . 45.0 mt-10 -56.26 114.6 2.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.127 0.489 . . . . 0.0 111.798 -175.775 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -88.56 -28.53 20.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.533 174.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -92.92 -43.11 9.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.327 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.471 ' HA ' ' HB3' ' A' ' 136' ' ' GLU . 10.9 t-80 71.11 -64.69 0.37 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.28 173.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -135.66 135.41 40.12 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -177.476 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -113.87 149.92 34.37 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.722 -175.011 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.744 -0.646 . . . . 0.0 109.836 175.667 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.29 110.22 2.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.993 0.425 . . . . 0.0 110.636 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.468 ' O ' HD11 ' A' ' 77' ' ' LEU . 42.8 t30 -87.97 -35.13 17.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.994 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -81.95 37.67 0.49 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.938 -173.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.4 p -125.0 74.05 66.09 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 120.763 0.316 . . . . 0.0 111.452 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.58 ' HB3' HD13 ' A' ' 77' ' ' LEU . 96.8 Cg_endo -86.64 2.54 7.13 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.755 2.303 . . . . 0.0 112.02 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -110.4 57.44 0.62 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.471 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.6 p -121.76 151.23 40.78 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.745 -176.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.27 -28.48 69.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.813 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.2 tp -67.71 -46.94 70.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.738 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.571 ' CH2' ' HA ' ' A' ' 76' ' ' ASP . 56.8 t-105 -66.61 -55.96 12.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.334 -178.121 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -51.7 -39.23 57.95 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.509 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.417 ' HA ' ' HD3' ' A' ' 13' ' ' ARG . 6.1 tpp180 -62.9 -33.42 75.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.316 -177.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.3 mt -66.07 -39.05 89.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.018 0.437 . . . . 0.0 110.019 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.44 HD23 ' HD3' ' A' ' 21' ' ' PRO . 74.5 mt -68.7 -41.43 79.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.948 177.762 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.1 m -56.46 -30.67 63.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.345 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.3 ttm-85 -74.73 -11.41 60.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.364 -175.437 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.74 10.49 10.12 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.471 -0.871 . . . . 0.0 113.12 176.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.431 ' HH2' ' O ' ' A' ' 55' ' ' PRO . 48.6 m0 -98.32 138.78 35.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.694 0.283 . . . . 0.0 110.798 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -108.6 143.33 27.3 Favored Pre-proline 0 N--CA 1.447 -0.584 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.534 177.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.44 ' HD3' HD23 ' A' ' 15' ' ' LEU . 62.9 Cg_endo -77.58 128.01 9.21 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.587 2.191 . . . . 0.0 112.673 178.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.0 m -111.81 167.47 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.096 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.498 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 39.4 mt-10 -137.34 166.57 23.48 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -176.303 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.69 -20.3 61.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.318 0.58 . . . . 0.0 109.559 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.5 t -66.38 -35.73 81.06 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.23 178.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.2 t -128.53 12.08 6.36 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -173.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.498 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 14.7 p -68.03 -34.16 65.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 O-C-N 122.294 -0.254 . . . . 0.0 111.141 -177.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.38 -48.24 82.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.092 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.3 -46.35 90.18 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.676 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.5 ' O ' HG21 ' A' ' 34' ' ' VAL . 61.5 t90 -55.26 -47.0 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.954 -178.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 27' ' ' VAL . 86.6 mt -58.43 -45.82 89.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.965 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -68.65 -36.59 78.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.542 0.687 . . . . 0.0 111.09 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -67.12 -45.74 76.23 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.268 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.5 HG21 ' O ' ' A' ' 30' ' ' TRP . 18.6 m -89.8 -37.1 9.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.213 -177.472 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.16 -53.89 4.91 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 121.078 -0.582 . . . . 0.0 111.816 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -124.4 133.03 53.52 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -177.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.56 -179.84 42.37 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.346 -0.93 . . . . 0.0 112.621 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 15.3 m -133.93 136.66 53.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.04 0.448 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.414 ' N ' HD12 ' A' ' 39' ' ' ILE . 3.9 mp -105.22 119.04 53.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.452 177.575 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.627 HD13 HG22 ' A' ' 58' ' ' ILE . 82.3 mt -83.53 124.84 31.15 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 176.594 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 47.6 mt -75.32 -164.81 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.946 178.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.512 ' HB3' ' HB3' ' A' ' 80' ' ' SER . 81.2 p -51.65 -45.54 63.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.989 -173.1 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.5 m 56.75 48.97 15.2 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.024 0.44 . . . . 0.0 110.588 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -45.06 126.03 5.44 Favored Pre-proline 0 N--CA 1.465 0.302 0 CA-C-N 114.877 -1.056 . . . . 0.0 112.54 -176.311 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -65.98 130.98 25.75 Favored 'Trans proline' 0 C--O 1.237 0.426 0 C-N-CA 122.679 2.253 . . . . 0.0 111.321 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -123.65 177.45 5.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.86 0.362 . . . . 0.0 110.659 -173.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -119.12 74.75 1.0 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.8 t -136.53 143.3 42.6 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.551 -172.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -74.47 59.6 4.8 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 122.751 2.301 . . . . 0.0 112.48 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -139.85 146.86 39.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.15 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.4 m -110.14 168.5 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.421 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.9 m 66.1 6.08 3.93 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 123.586 0.554 . . . . 0.0 111.872 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -77.5 -14.82 59.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.737 . . . . 0.0 109.938 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -113.05 152.5 45.02 Favored Pre-proline 0 N--CA 1.45 -0.462 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.593 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.522 ' HB3' HD11 ' A' ' 40' ' ' LEU . 71.5 Cg_exo -52.73 -18.71 9.33 Favored 'Trans proline' 0 N--CA 1.477 0.518 0 C-N-CA 124.032 3.155 . . . . 0.0 114.524 -175.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.477 HG22 ' HG3' ' A' ' 57' ' ' MET . 28.2 m -57.18 -21.89 15.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -175.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.477 ' HG3' HG22 ' A' ' 56' ' ' VAL . 64.4 mtt -113.0 7.74 18.22 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -177.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.627 HG22 HD13 ' A' ' 40' ' ' LEU . 8.2 tp -81.79 -20.68 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.995 0.426 . . . . 0.0 110.509 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.07 -52.78 53.75 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.36 -176.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -60.76 -29.92 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.159 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.665 HD11 HD22 ' A' ' 116' ' ' LEU . 5.7 tt -70.99 -56.91 5.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.461 0.648 . . . . 0.0 110.18 178.877 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -64.2 -22.5 66.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.051 -171.782 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -85.94 9.3 17.33 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.501 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -87.22 -2.86 58.93 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.281 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -105.91 91.1 4.96 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.145 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.501 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 83.8 Cg_endo -85.36 2.45 7.78 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.635 2.223 . . . . 0.0 112.892 -176.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -58.66 -73.58 0.08 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.026 0.441 . . . . 0.0 110.917 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.424 ' HE2' ' CZ2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -100.85 177.43 4.97 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.403 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -100.19 102.9 14.32 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.424 ' CZ2' ' HE2' ' A' ' 68' ' ' PHE . 51.4 m95 -81.65 148.34 29.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.198 -175.305 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.455 ' HG3' ' HB ' ' A' ' 34' ' ' VAL . 45.2 mm-40 -117.17 134.26 54.99 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.078 176.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.3 t -109.7 122.8 64.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -132.61 158.43 42.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.756 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.6 m -118.81 154.92 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.783 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.416 ' CB ' HD13 ' A' ' 83' ' ' ILE . . . -85.85 19.3 2.58 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -173.256 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.571 ' HA ' ' CH2' ' A' ' 11' ' ' TRP . 36.3 t0 64.16 -93.45 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.222 0.609 . . . . 0.0 110.989 178.175 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.58 HD13 ' HB3' ' A' ' 6' ' ' PRO . 2.5 pt? -154.03 -64.27 0.14 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 122.022 -0.424 . . . . 0.0 111.707 175.113 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.556 ' N ' ' HG ' ' A' ' 77' ' ' LEU . 25.9 tt0 -76.68 -35.29 58.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.792 0.806 . . . . 0.0 110.151 -174.666 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.492 ' OE1' ' HB3' ' A' ' 76' ' ' ASP . 21.0 mp0 -63.54 -24.32 67.76 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.312 -176.286 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.512 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 15.2 m -49.62 -48.01 49.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.572 -178.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -68.52 -39.75 81.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.016 0.436 . . . . 0.0 110.178 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.17 -33.94 76.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.414 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.465 HG13 ' O ' ' A' ' 79' ' ' GLN . 46.0 mt -65.68 -45.75 91.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.652 0.263 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.97 -33.89 88.43 Favored Glycine 0 CA--C 1.518 0.221 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.619 177.359 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -69.39 -42.23 75.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.898 0.38 . . . . 0.0 110.548 177.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -54.51 -43.33 71.76 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.572 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -93.2 -2.59 55.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.819 -177.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 56.21 40.74 29.94 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.193 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.492 ' O ' ' HB2' ' A' ' 90' ' ' ARG . 9.5 p -95.57 11.97 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.281 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.492 ' HB2' ' O ' ' A' ' 89' ' ' VAL . 65.8 mtp180 77.49 -178.95 0.13 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.758 -176.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.89 90.79 3.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.082 -174.812 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -163.73 159.67 17.32 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.97 175.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.42 122.29 11.08 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.574 2.182 . . . . 0.0 112.241 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -156.48 169.06 25.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.306 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.704 ' HB ' HD23 ' A' ' 107' ' ' LEU . 29.9 m -115.8 130.8 56.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.519 174.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.421 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.5 mm? -90.97 126.06 35.97 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.964 -0.295 . . . . 0.0 110.311 -177.395 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.8 t -97.56 111.0 26.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.471 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -118.63 124.73 48.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.136 0.493 . . . . 0.0 111.486 178.459 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 41.6 p -140.94 136.35 32.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.773 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 62.99 19.71 11.81 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.39 0.431 . . . . 0.0 110.935 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 70.89 20.97 78.06 Favored Glycine 0 CA--C 1.522 0.524 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.284 -173.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -115.6 146.33 41.87 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 63.7 tp -85.84 109.28 18.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 19.1 mmm180 -83.9 -28.93 27.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.076 -179.66 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 154.76 -160.69 29.81 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.734 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.47 ' HA ' ' O ' ' A' ' 95' ' ' THR . . . -141.87 151.92 43.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.805 0.336 . . . . 0.0 110.992 -178.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.704 HD23 ' HB ' ' A' ' 95' ' ' THR . 3.5 mm? -81.45 108.22 14.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.432 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.9 m -132.11 125.43 31.31 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.563 -178.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -158.97 179.75 34.38 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.181 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 27.4 pt -102.83 -3.18 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.172 0.511 . . . . 0.0 110.456 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 8.0 p80 -162.22 144.51 8.54 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 173.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 111' ' ' HIS . 26.9 Cg_exo -62.98 -74.25 0.02 OUTLIER 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 123.147 2.565 . . . . 0.0 115.026 -169.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.476 ' O ' ' HB3' ' A' ' 114' ' ' ALA . 2.2 t-105 -95.86 121.14 37.28 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -165.532 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.476 ' HB3' ' O ' ' A' ' 113' ' ' TRP . . . 161.99 -76.75 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.575 0 O-C-N 124.831 1.332 . . . . 0.0 110.204 173.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -77.46 -22.23 51.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.213 -171.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.665 HD22 HD11 ' A' ' 61' ' ' LEU . 9.7 tt -53.62 -45.35 70.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.46 -178.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.1 -37.15 71.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.153 -173.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.6 m -82.82 -50.76 8.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.644 0.259 . . . . 0.0 110.968 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.474 ' O ' HG13 ' A' ' 123' ' ' ILE . 3.7 mm? -59.91 -40.32 88.43 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.535 -177.341 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.518 ' O ' HG22 ' A' ' 124' ' ' VAL . 15.2 tpt -57.51 -38.11 74.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.835 0.35 . . . . 0.0 110.609 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 40.7 mtt85 -66.63 -40.13 88.59 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.339 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.9 m -67.42 -34.43 77.21 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-O 121.043 0.449 . . . . 0.0 111.111 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 119' ' ' LEU . 70.8 mt -68.72 -43.18 83.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 120' ' ' MET . 33.3 m -94.88 19.94 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.413 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -78.55 -9.36 59.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.269 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.407 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 42.2 p 64.47 142.23 0.07 OUTLIER Pre-proline 0 N--CA 1.474 0.745 0 C-N-CA 124.927 1.291 . . . . 0.0 112.379 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 126' ' ' THR . 2.9 Cg_exo -76.42 12.27 1.63 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.138 2.558 . . . . 0.0 112.056 178.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.44 22.69 2.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.287 -176.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -126.22 68.01 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.343 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 60.67 93.08 0.04 OUTLIER 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.657 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -95.69 148.56 22.42 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 21.0 p -106.88 -92.76 0.4 Allowed 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.9 m -139.83 84.28 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.278 0.561 . . . . 0.0 110.075 176.628 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -89.85 161.06 16.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.101 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.6 mp 56.93 54.73 6.77 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.268 0.556 . . . . 0.0 109.794 -174.333 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.41 149.97 12.41 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.421 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -50.17 111.09 0.47 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.599 177.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -92.6 94.91 9.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.682 -177.106 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -61.52 114.85 3.47 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 175.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -130.83 140.0 50.21 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.098 0.475 . . . . 0.0 111.307 -175.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -89.15 -26.15 21.45 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 173.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 . . . . . 0 C--O 1.247 0.974 0 CA-C-N 114.855 -1.066 . . . . 0.0 108.815 172.834 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ttt . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 121.149 0.5 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.76 94.32 1.13 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.28 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -115.57 123.64 48.97 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -110.11 95.78 5.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.2 0.524 . . . . 0.0 110.662 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 2.2 p -123.41 124.46 26.31 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.207 178.266 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 32.5 Cg_exo -58.91 111.19 0.82 Allowed 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.923 2.415 . . . . 0.0 112.261 -178.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -90.93 126.69 36.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.419 0.628 . . . . 0.0 111.083 -177.665 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 p -97.62 171.85 8.09 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.1 177.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.56 -34.41 78.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.815 0.34 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.426 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 6.7 tt -62.13 -42.92 99.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.836 176.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -71.01 -50.2 36.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.871 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -54.44 -42.19 70.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.368 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.49 ' HG3' HD23 ' A' ' 14' ' ' LEU . 19.2 ptt180 -62.99 -31.57 72.72 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.552 -176.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.49 HD23 ' HG3' ' A' ' 13' ' ' ARG . 3.8 mm? -70.13 -40.67 74.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.789 0.328 . . . . 0.0 110.461 176.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.03 -33.3 75.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.158 0.504 . . . . 0.0 110.129 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.7 m -62.54 -25.85 68.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.29 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -71.83 -6.94 45.27 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.994 0.426 . . . . 0.0 110.741 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.6 25.03 3.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.772 . . . . 0.0 113.038 173.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.58 ' HH2' ' HA ' ' A' ' 55' ' ' PRO . 39.3 m0 -100.65 144.36 29.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.013 0.435 . . . . 0.0 110.902 -178.094 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -109.4 125.1 32.13 Favored Pre-proline 0 N--CA 1.447 -0.615 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.005 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -77.01 115.6 4.04 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.227 1.951 . . . . 0.0 111.253 173.155 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.0 m -112.21 153.98 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.958 0.408 . . . . 0.0 111.44 -175.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -101.06 -174.61 2.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.785 -177.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.17 -48.21 71.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.925 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.3 p -89.35 -35.93 15.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.994 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.9 m -64.74 -26.96 68.58 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.664 -177.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.469 ' O ' HG13 ' A' ' 31' ' ' ILE . 8.3 p -68.78 -29.79 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.765 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -65.03 -37.32 87.22 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.149 0.5 . . . . 0.0 110.233 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -72.95 -38.77 66.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.949 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.423 ' O ' HG21 ' A' ' 34' ' ' VAL . 84.1 t90 -58.71 -45.41 89.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.264 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.469 HG13 ' O ' ' A' ' 27' ' ' VAL . 90.4 mt -60.1 -45.8 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.094 178.557 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -27.95 67.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.823 0.344 . . . . 0.0 110.801 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -72.75 -47.26 48.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.565 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.423 HG21 ' O ' ' A' ' 30' ' ' TRP . 28.3 m -94.39 -38.79 9.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.404 -173.415 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.44 -52.33 4.65 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.806 -0.712 . . . . 0.0 111.954 -175.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -116.55 128.68 55.65 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.95 173.67 41.83 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 119.869 -1.157 . . . . 0.0 112.584 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.3 m -130.87 134.0 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.01 0.433 . . . . 0.0 110.812 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.04 127.63 64.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.513 ' HB2' HG13 ' A' ' 74' ' ' VAL . 66.5 mt -91.79 133.97 35.16 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 176.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 60.6 mt -82.27 173.88 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.821 0.344 . . . . 0.0 110.383 176.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -82.63 96.44 8.11 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.622 -177.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.769 ' HB3' ' HB3' ' A' ' 93' ' ' PRO . 2.9 p -94.85 162.11 13.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.314 174.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -67.31 118.28 54.81 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.207 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -96.77 7.63 1.52 Allowed 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 123.079 2.52 . . . . 0.0 113.15 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.2 mtm180 -91.3 88.37 6.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.924 0.392 . . . . 0.0 111.081 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 68.09 -80.95 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.324 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.459 ' HB ' ' HD2' ' A' ' 49' ' ' PRO . 65.0 p 58.41 156.4 0.09 OUTLIER Pre-proline 0 N--CA 1.474 0.737 0 C-N-CA 124.663 1.185 . . . . 0.0 113.105 -178.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.459 ' HD2' ' HB ' ' A' ' 48' ' ' THR . 60.1 Cg_endo -74.63 -16.51 21.17 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.421 2.08 . . . . 0.0 112.433 178.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 62.1 96.82 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.834 0.709 . . . . 0.0 111.194 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.5 m -128.32 -46.62 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.627 -177.485 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.3 m -153.4 164.11 38.75 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.53 ' CG ' ' H ' ' A' ' 54' ' ' ASN . 15.5 t70 59.6 -144.86 0.53 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -175.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.53 ' H ' ' CG ' ' A' ' 53' ' ' ASP . 11.1 m120 71.84 154.3 0.15 Allowed Pre-proline 0 C--O 1.233 0.221 0 CA-C-O 121.605 0.716 . . . . 0.0 111.974 176.76 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.58 ' HA ' ' HH2' ' A' ' 19' ' ' TRP . 34.4 Cg_exo -62.24 159.27 35.87 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.685 2.257 . . . . 0.0 112.325 177.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.423 ' HB ' ' O ' ' A' ' 55' ' ' PRO . 85.0 t 76.84 -53.47 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.177 177.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.449 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 27.2 ttt -61.06 -28.31 68.98 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.742 0.306 . . . . 0.0 111.777 -175.274 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.0 tp -62.62 -18.24 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 121.125 0.488 . . . . 0.0 111.591 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.1 97.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.766 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 57' ' ' MET . 10.6 pt-20 -72.01 -28.24 63.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.809 0.338 . . . . 0.0 110.706 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.26 -54.1 34.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 174.375 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.7 tt -51.86 -45.43 64.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.596 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -69.19 -7.98 41.45 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.78 -20.61 45.85 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -128.2 54.73 14.2 Favored Pre-proline 0 CA--C 1.531 0.24 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.099 -175.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -81.89 43.3 1.49 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.15 1.9 . . . . 0.0 112.397 -173.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -88.44 -45.2 10.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.166 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.533 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 6.0 m-85 -100.22 171.1 8.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.679 -177.607 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -88.24 75.08 8.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.352 0.596 . . . . 0.0 109.422 177.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.533 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 90.5 m95 -68.7 145.94 53.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.43 -175.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -137.59 145.58 42.98 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.494 175.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.0 t -103.96 127.8 57.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.186 0.517 . . . . 0.0 111.433 -174.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.26 148.09 45.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.915 175.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.513 HG13 ' HB2' ' A' ' 40' ' ' LEU . 28.9 m -132.89 171.09 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.749 0.309 . . . . 0.0 110.954 -177.573 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.586 ' HB1' ' HG3' ' A' ' 79' ' ' GLN . . . -145.89 150.16 35.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.008 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.415 ' C ' HD13 ' A' ' 77' ' ' LEU . 1.2 p30 -86.92 -87.02 0.15 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -177.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.415 HD13 ' C ' ' A' ' 76' ' ' ASP . 7.6 mp -125.48 -76.45 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.929 -0.482 . . . . 0.0 112.026 -174.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -56.02 -54.03 49.79 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.397 0.618 . . . . 0.0 111.091 -175.123 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.586 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 2.5 pt20 -56.75 -42.19 78.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.479 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.8 m -53.53 -44.79 69.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.738 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -66.07 -46.9 76.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.663 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.28 92.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.024 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.15 -51.09 77.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.445 176.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.34 -44.96 97.39 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.76 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -56.89 -45.23 82.73 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.747 0.308 . . . . 0.0 110.979 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -62.1 -40.83 97.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.041 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -82.62 0.14 44.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.906 0.384 . . . . 0.0 110.422 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.445 ' N ' HD21 ' A' ' 88' ' ' ASN . 0.9 OUTLIER 70.94 21.62 4.92 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.253 176.505 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 62.7 t -128.14 100.52 6.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.096 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.416 ' HD3' ' N ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -127.43 24.79 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.107 0.479 . . . . 0.0 110.501 -178.148 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -135.67 133.02 37.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.058 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.401 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 35.9 m-85 74.09 141.92 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.409 0 O-C-N 124.233 0.958 . . . . 0.0 111.081 -178.099 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.769 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 15.2 Cg_exo -67.43 114.65 3.34 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.069 1.846 . . . . 0.0 109.737 171.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -142.99 139.67 30.72 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.191 0.519 . . . . 0.0 111.532 -172.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.671 ' HB ' HD22 ' A' ' 107' ' ' LEU . 10.7 m -78.98 133.54 36.85 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.961 173.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -91.91 128.34 37.72 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 22.1 t -104.45 114.22 43.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.391 -174.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -118.19 139.34 51.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.928 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.3 142.72 24.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.456 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.4 t70 63.49 14.61 8.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.511 0.672 . . . . 0.0 111.179 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.72 5.38 89.9 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.175 -176.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -120.2 161.29 21.31 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.789 0.328 . . . . 0.0 110.576 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.5 tp -76.34 139.1 40.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.072 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -120.87 -37.24 3.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.28 178.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 171.28 -162.04 34.66 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.18 -1.009 . . . . 0.0 112.417 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -153.63 166.81 31.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.951 0.405 . . . . 0.0 110.781 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.671 HD22 ' HB ' ' A' ' 95' ' ' THR . 3.8 mm? -91.39 21.32 4.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.296 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.3 m -65.91 135.39 54.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.783 -176.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.55 150.69 16.41 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.496 175.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.2 tt -86.83 120.77 36.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.197 0.523 . . . . 0.0 110.231 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.443 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 1.3 p-80 -154.92 141.79 13.46 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.63 -178.567 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 111' ' ' HIS . 33.0 Cg_exo -58.46 164.47 9.02 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.44 2.76 . . . . 0.0 112.82 -178.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -54.03 -56.97 13.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.068 -177.785 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.07 -35.58 67.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.052 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -74.24 -40.64 62.25 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.383 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.0 tt -57.98 -48.14 80.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.691 176.57 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 69.4 mt -58.05 -46.69 84.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.473 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 59.4 m -61.09 -51.48 68.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.313 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.435 ' O ' HG13 ' A' ' 123' ' ' ILE . 97.2 mt -64.47 -47.09 80.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.717 0.294 . . . . 0.0 111.05 -178.56 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 14.8 tpt -63.47 -40.86 98.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.378 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.597 ' HA ' HG22 ' A' ' 124' ' ' VAL . 41.8 mtt180 -65.5 -36.67 84.54 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 177.696 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 25.0 t -60.66 -38.69 85.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.03 174.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 119' ' ' LEU . 84.0 mt -68.14 -47.88 76.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.187 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.597 HG22 ' HA ' ' A' ' 121' ' ' ARG . 26.1 m -77.79 4.2 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -175.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -60.28 -31.6 70.4 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 25.3 m 59.37 85.06 0.19 Allowed Pre-proline 0 C--O 1.234 0.247 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.886 172.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -71.26 125.36 11.28 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 121.833 1.689 . . . . 0.0 110.272 168.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -55.36 -63.75 1.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.026 0.441 . . . . 0.0 111.419 -175.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -86.19 87.4 7.42 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.402 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -161.25 147.2 14.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.777 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 69.68 88.32 0.11 Allowed 'General case' 0 C--O 1.234 0.252 0 O-C-N 124.288 0.992 . . . . 0.0 111.161 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 12.3 m -90.91 95.25 10.02 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.543 176.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.9 p -84.27 121.22 36.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.021 -177.368 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -97.11 118.04 32.65 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.101 176.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 93.0 mt -56.25 134.07 52.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 123.472 0.482 . . . . 0.0 110.852 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -61.04 154.3 23.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.134 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -69.91 119.03 13.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.358 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -60.25 104.4 0.32 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.041 0.448 . . . . 0.0 111.58 -173.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 26.6 p80 -131.69 170.21 15.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.557 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -87.71 160.21 18.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.988 0.423 . . . . 0.0 110.978 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -151.49 123.81 8.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.409 174.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 8.3 p80 . . . . . 0 C--N 1.317 -0.831 0 CA-C-O 118.286 -0.864 . . . . 0.0 109.98 -177.577 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ttt . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 121.093 0.473 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.93 -56.34 2.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.291 173.216 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.9 m120 67.41 102.98 0.05 OUTLIER 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.155 -0.93 . . . . 0.0 112.082 174.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.412 ' CG ' ' H ' ' A' ' 5' ' ' THR . 7.5 t70 71.46 -174.59 0.17 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.999 179.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.412 ' H ' ' CG ' ' A' ' 4' ' ' ASP . 7.6 m 56.81 67.74 2.48 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-O 121.099 0.476 . . . . 0.0 110.052 -171.052 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.08 99.9 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.819 2.346 . . . . 0.0 112.699 -176.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -87.74 -17.81 30.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.347 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 p -87.81 119.32 28.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.961 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.66 -33.45 74.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.079 -178.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.407 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 7.1 mp -64.66 -27.87 69.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.865 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.8 t-105 -79.7 -46.04 17.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.496 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -48.45 -35.74 13.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.186 -0.915 . . . . 0.0 113.177 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.677 ' HG3' HD22 ' A' ' 14' ' ' LEU . 8.3 ptp180 -62.93 -29.29 70.68 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.574 -177.213 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.677 HD22 ' HG3' ' A' ' 13' ' ' ARG . 2.8 mm? -72.43 -31.09 65.19 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.108 0.48 . . . . 0.0 109.919 178.537 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.6 mt -66.15 -38.59 88.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.568 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.9 m -67.41 -27.12 66.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.952 177.367 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -76.39 -14.97 60.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.245 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.31 26.01 6.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.67 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -99.89 130.73 46.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.744 0.307 . . . . 0.0 110.424 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -101.42 122.58 47.55 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.621 -177.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.43 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 4.2 Cg_exo -75.33 114.64 4.04 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.871 2.381 . . . . 0.0 111.249 173.027 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.2 m -116.75 175.36 3.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.235 0.541 . . . . 0.0 112.143 -174.295 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.478 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 38.2 mt-10 -110.78 167.48 10.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.201 178.484 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.47 -21.39 64.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.349 0.595 . . . . 0.0 110.572 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.7 p -80.79 -62.22 1.73 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.999 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.5 t -73.09 -17.37 61.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.324 -172.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' O ' HG13 ' A' ' 31' ' ' ILE . 9.1 p -62.4 -31.29 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.81 0.338 . . . . 0.0 110.251 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -61.0 -49.13 78.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.416 0.627 . . . . 0.0 110.215 177.565 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -70.96 -35.88 72.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.435 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.451 ' O ' HG23 ' A' ' 34' ' ' VAL . 85.6 t90 -59.06 -49.92 76.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.68 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.45 HG13 ' O ' ' A' ' 27' ' ' VAL . 94.8 mt -60.62 -39.58 81.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.077 0.465 . . . . 0.0 110.681 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -71.06 -23.74 62.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.934 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.403 ' O ' ' HD3' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -77.15 -44.27 30.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.901 -179.667 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 30' ' ' TRP . 26.1 m -85.87 -45.0 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.783 -177.184 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.95 -18.36 27.2 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.728 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.486 ' OD2' ' HB2' ' A' ' 68' ' ' PHE . 28.0 t0 -142.13 155.93 45.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -176.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.517 ' HA2' ' HB3' ' A' ' 70' ' ' TRP . . . 129.53 -176.09 18.7 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 119.957 -1.116 . . . . 0.0 113.778 172.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.0 m -130.6 144.35 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.011 0.434 . . . . 0.0 111.108 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.545 HG13 ' HB3' ' A' ' 73' ' ' ALA . 2.6 mp -110.88 132.01 60.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.728 177.806 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.497 ' HB2' HG13 ' A' ' 74' ' ' VAL . 87.3 mt -108.4 134.17 51.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.861 0.363 . . . . 0.0 110.898 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.1 mt -93.73 153.68 18.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.333 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.9 t -76.09 153.71 36.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.155 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.1 t -83.37 90.03 7.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.35 0.595 . . . . 0.0 111.159 -175.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -142.59 84.11 11.29 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.544 173.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.54 ' HA ' ' O ' ' A' ' 91' ' ' ARG . 48.8 Cg_endo -96.98 -169.05 0.12 Allowed 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 123.542 2.828 . . . . 0.0 112.664 -178.299 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.8 ttm-85 -90.1 -73.75 0.51 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.014 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -82.51 160.11 22.7 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 173.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.7 m 62.41 69.02 0.96 Allowed Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -166.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.36 136.43 28.83 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 122.689 2.259 . . . . 0.0 113.069 -172.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 75.96 151.46 0.12 Allowed 'General case' 0 CA--C 1.531 0.214 0 O-C-N 124.046 0.841 . . . . 0.0 110.803 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.0 p -53.94 127.19 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.83 -177.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 p -129.53 -22.27 3.04 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.811 178.649 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -93.39 154.32 18.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.46 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.412 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 44.7 m-80 -119.34 139.66 27.97 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.485 -178.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 54' ' ' ASN . 11.0 Cg_exo -71.29 66.11 2.75 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.102 2.535 . . . . 0.0 112.22 178.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.474 ' C ' ' H ' ' A' ' 58' ' ' ILE . 26.9 m -126.21 164.62 25.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.858 178.651 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 65.2 mtm 71.38 -20.74 0.22 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.312 0.645 . . . . 0.0 112.097 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.474 ' H ' ' C ' ' A' ' 56' ' ' VAL . 8.7 tp -74.08 -30.87 28.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.262 -177.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.36 -45.84 36.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.974 0.416 . . . . 0.0 111.053 -176.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.669 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 1.7 pm0 -65.81 -28.15 68.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.135 177.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.556 HD12 HD23 ' A' ' 116' ' ' LEU . 1.6 tt -52.46 -47.51 66.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.444 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -61.28 -22.12 64.57 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -173.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.669 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 5.1 ptp180 -76.26 -2.94 33.87 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.366 -0.534 . . . . 0.0 111.094 -176.887 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -78.94 -10.56 59.85 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.135 0.493 . . . . 0.0 109.821 174.461 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -117.72 76.44 10.55 Favored Pre-proline 0 N--CA 1.452 -0.366 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.44 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -77.49 43.85 1.41 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.124 2.549 . . . . 0.0 112.457 -174.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -105.68 -67.5 0.92 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.962 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.486 ' HB2' ' OD2' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -95.49 176.81 6.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.937 -177.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -112.71 90.12 3.26 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 175.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.517 ' HB3' ' HA2' ' A' ' 37' ' ' GLY . 10.4 m95 -72.5 139.65 47.75 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.979 -173.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -101.39 166.91 10.5 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.1 t -129.09 125.39 62.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.979 0.419 . . . . 0.0 110.401 177.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.545 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -117.13 144.0 45.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.147 177.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.497 HG13 ' HB2' ' A' ' 40' ' ' LEU . 18.3 m -125.23 155.41 34.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.384 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.69 156.12 19.43 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.685 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -68.14 -105.34 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.674 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.1 mp -124.37 -66.95 0.95 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -59.15 -41.46 88.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.556 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.478 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 18.4 mp0 -54.3 -37.02 64.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.719 -179.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.5 m -64.16 -38.17 90.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.9 0.381 . . . . 0.0 110.701 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -74.23 -40.3 62.5 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.56 96.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.08 177.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.422 HG13 ' O ' ' A' ' 79' ' ' GLN . 67.5 mt -61.57 -47.38 93.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.179 175.336 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.82 -42.1 94.4 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.71 176.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -57.83 -45.44 86.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.963 0.411 . . . . 0.0 111.025 177.361 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -60.64 -36.11 77.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.881 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -106.24 5.32 29.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.724 0.297 . . . . 0.0 111.232 -175.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 62.17 34.38 16.23 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.329 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 44.0 t -93.91 143.66 11.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.042 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -69.08 160.88 30.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.626 0.25 . . . . 0.0 110.608 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.54 ' O ' ' HA ' ' A' ' 45' ' ' PRO . 18.3 mtp-105 -74.43 78.29 1.9 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.515 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -147.3 160.84 38.35 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.569 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -62.31 114.63 2.43 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.846 1.697 . . . . 0.0 110.922 172.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -141.26 147.26 37.94 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.497 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.579 ' HB ' ' HB2' ' A' ' 107' ' ' LEU . 24.7 m -106.19 120.72 42.56 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.85 176.064 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -93.11 124.8 37.34 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.514 HG11 HG13 ' A' ' 124' ' ' VAL . 60.4 t -96.72 119.74 45.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.114 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 23.2 m-85 -122.14 125.82 47.0 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -176.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.404 HG22 ' OD1' ' A' ' 36' ' ' ASP . 70.6 p -145.43 147.86 32.68 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 174.342 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 36.9 t70 65.61 19.26 11.44 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.84 0.829 . . . . 0.0 109.381 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 70.68 6.54 59.35 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.349 -174.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -115.05 158.16 22.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.077 0.465 . . . . 0.0 111.116 -176.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.7 tp -81.96 127.83 33.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.337 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.528 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 8.9 mmp_? -89.69 -42.71 11.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.144 177.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 173.99 170.83 37.8 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.741 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -112.96 140.26 47.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.788 0.327 . . . . 0.0 110.508 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.579 ' HB2' ' HB ' ' A' ' 95' ' ' THR . 4.2 mm? -94.23 109.01 20.84 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.506 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.7 m -151.1 155.14 38.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.12 178.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 85.46 -58.6 4.88 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.856 -0.687 . . . . 0.0 113.053 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 35.4 pt -76.71 158.89 5.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.981 0.419 . . . . 0.0 111.237 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.806 ' H ' ' HD2' ' A' ' 112' ' ' PRO . 89.9 m-70 -143.71 -50.47 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.089 -177.722 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.806 ' HD2' ' H ' ' A' ' 111' ' ' HIS . 21.1 Cg_endo -60.19 151.47 73.0 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 122.353 2.035 . . . . 0.0 114.029 -175.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 18.9 t-105 -73.97 -175.35 2.14 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.637 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 69.64 -70.23 0.15 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.217 0.607 . . . . 0.0 110.879 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -60.08 -36.87 78.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.099 0.476 . . . . 0.0 109.839 176.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.556 HD23 HD12 ' A' ' 61' ' ' LEU . 10.0 tt -54.8 -47.86 73.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.191 175.074 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.21 -51.55 68.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.589 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.1 m -53.65 -47.73 70.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.312 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 119' ' ' LEU . 4.4 mm? -72.45 -49.79 30.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.718 -178.55 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.42 ' O ' HG22 ' A' ' 124' ' ' VAL . 66.7 mtp -63.59 -27.67 69.41 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.233 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -62.73 -39.07 92.96 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.891 0.377 . . . . 0.0 110.487 175.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.4 t -72.91 -30.26 63.77 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.974 177.256 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.424 ' O ' ' HB3' ' A' ' 104' ' ' ARG . 46.9 mm -68.57 -47.59 76.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.705 176.434 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.514 HG13 HG11 ' A' ' 97' ' ' VAL . 18.8 m -88.36 17.28 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.969 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -50.31 -50.9 49.3 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.547 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 44.4 m 66.05 108.06 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.275 0 CA-C-O 121.549 0.69 . . . . 0.0 112.168 173.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.98 -153.58 0.04 OUTLIER 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.995 2.463 . . . . 0.0 112.219 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.87 -31.67 68.76 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.006 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 65.93 -174.98 0.18 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.131 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -98.24 54.16 1.08 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -51.49 100.03 0.02 OUTLIER 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.425 -177.4 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.0 p -143.4 137.36 28.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.809 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 48.8 t 69.21 -68.94 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 122.946 0.498 . . . . 0.0 111.645 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 50.76 75.31 0.19 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.361 0.6 . . . . 0.0 109.919 -172.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 7.2 tt -87.08 102.18 14.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.014 -169.237 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -103.26 32.66 3.66 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 167.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -86.49 15.29 5.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.327 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -53.25 124.63 15.1 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.085 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -85.69 170.26 12.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.358 0.599 . . . . 0.0 112.315 -168.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -64.43 137.26 57.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.652 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -100.15 143.53 30.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.87 -177.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.963 -0.541 . . . . 0.0 110.82 177.907 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 55.57 22.42 5.19 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.185 0.594 . . . . 0.0 112.276 176.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -177.34 150.2 0.7 Allowed 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -175.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -67.31 93.05 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 175.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 p -144.13 132.04 10.78 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.726 -172.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.441 ' HB3' ' NE2' ' A' ' 12' ' ' GLN . 7.2 Cg_exo -74.09 94.38 0.89 Allowed 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.951 2.434 . . . . 0.0 110.412 170.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -104.39 -67.66 0.89 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.466 -173.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.8 t -120.87 152.78 38.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.967 -176.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.98 -34.96 79.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.417 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 9.0 tt -63.3 -28.98 70.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.378 0.609 . . . . 0.0 109.961 178.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.575 ' CH2' ' HA ' ' A' ' 76' ' ' ASP . 32.4 t-105 -86.08 -51.77 6.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.729 177.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.441 ' NE2' ' HB3' ' A' ' 6' ' ' PRO . 33.6 tt0 -62.7 -24.37 67.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.314 -176.286 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.417 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 40.6 ptt180 -56.66 -33.94 66.86 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 122.446 -0.159 . . . . 0.0 110.968 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -75.23 -44.0 48.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.145 0.498 . . . . 0.0 109.781 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.424 HD12 ' NE1' ' A' ' 11' ' ' TRP . 56.8 mt -59.78 -37.85 80.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.737 -179.343 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -60.94 -29.54 69.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.945 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -80.16 -0.6 36.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.675 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.41 1.26 55.6 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 31.7 m0 -67.05 131.53 46.03 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -103.77 123.06 42.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.946 -171.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -73.28 126.75 11.31 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.897 2.398 . . . . 0.0 111.707 176.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.95 163.56 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.55 -177.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.54 ' HB2' HG23 ' A' ' 26' ' ' THR . 45.9 mt-10 -112.86 164.4 13.46 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.22 -27.65 65.66 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.096 0.474 . . . . 0.0 111.019 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 p -82.62 -16.51 48.13 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.371 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.54 HG23 ' HB2' ' A' ' 23' ' ' GLU . 12.6 t -129.73 0.73 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -176.851 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.461 ' O ' HG13 ' A' ' 31' ' ' ILE . 7.6 p -64.85 -44.81 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 121.322 -0.151 . . . . 0.0 111.161 -176.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.472 ' HA ' HD11 ' A' ' 31' ' ' ILE . 4.7 p-10 -64.2 -32.43 74.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.845 0.355 . . . . 0.0 110.898 -177.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.2 -41.33 86.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.372 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -67.03 -40.52 87.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.763 176.451 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.472 HD11 ' HA ' ' A' ' 28' ' ' ASP . 96.1 mt -59.43 -51.63 70.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.496 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -19.93 64.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 111.134 -178.294 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 -74.12 -46.17 44.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.158 0.504 . . . . 0.0 110.931 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.7 m -87.93 -35.02 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.884 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.41 -61.21 1.51 Allowed Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.147 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -120.66 131.75 54.74 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.767 0.318 . . . . 0.0 110.402 -174.499 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.86 179.6 45.54 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.914 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.6 m -130.23 134.86 61.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.189 0.519 . . . . 0.0 111.421 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.534 HG13 ' HB3' ' A' ' 73' ' ' ALA . 2.1 mp -109.06 127.84 65.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.724 177.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 95.0 mt -104.29 129.95 52.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.912 0.387 . . . . 0.0 110.625 -179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.8 mt -89.55 168.57 12.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.69 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.3 t -50.35 113.81 0.97 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.331 175.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.401 ' HA ' ' HB3' ' A' ' 93' ' ' PRO . 38.9 m -86.23 131.89 34.13 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.087 -175.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.544 ' HB2' ' H ' ' A' ' 53' ' ' ASP . 20.4 t70 67.14 116.27 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.44 0 O-C-N 124.092 0.87 . . . . 0.0 111.724 -177.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -76.13 16.97 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 123.342 2.695 . . . . 0.0 111.735 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.829 ' HA ' ' HE ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER 69.74 50.4 0.49 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.977 -177.679 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -107.77 -42.14 4.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.29 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.0 p -115.49 112.77 43.28 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 120.888 0.375 . . . . 0.0 111.906 -176.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.71 -36.87 10.14 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.7 2.266 . . . . 0.0 110.474 171.738 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -83.04 104.86 13.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.613 175.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t 65.36 92.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.499 0.666 . . . . 0.0 111.12 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -95.97 178.21 5.5 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.316 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.544 ' H ' ' HB2' ' A' ' 44' ' ' ASP . 28.1 m-20 -86.56 122.0 29.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.774 0.321 . . . . 0.0 110.248 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -149.96 101.02 3.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.898 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -81.35 43.39 1.52 Allowed 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 123.156 2.571 . . . . 0.0 113.919 -172.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.6 m -87.05 73.9 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 122.412 1.101 . . . . 0.0 110.533 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 25.8 ptt? 174.94 -0.4 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 113.617 -1.629 . . . . 0.0 108.706 -178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.8 tp -72.56 -19.66 19.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.022 -174.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.63 -42.1 91.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.055 -176.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.428 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 10.1 pt-20 -73.1 -27.59 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 111.185 -177.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.549 HD21 HD22 ' A' ' 116' ' ' LEU . 2.4 tm? -59.59 -56.59 19.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.572 177.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.414 HD13 ' HA ' ' A' ' 62' ' ' LEU . 3.6 mm? -66.1 -21.16 66.34 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -173.434 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.428 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 8.6 ptp180 -83.1 9.28 10.74 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.92 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.438 ' HB2' ' O ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -84.21 -5.3 59.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.3 0.571 . . . . 0.0 109.475 170.839 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -117.51 79.83 12.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.515 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.29 43.84 1.57 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.011 2.474 . . . . 0.0 113.312 -172.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -103.82 -43.56 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.223 0.535 . . . . 0.0 110.211 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -117.46 161.89 18.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.817 -176.164 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -95.71 92.92 6.81 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 171.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -71.1 143.1 50.74 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.316 -172.405 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -123.34 145.15 48.97 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.98 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.1 t -107.98 123.72 63.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.969 0.414 . . . . 0.0 110.734 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.534 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -117.57 147.17 43.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.241 177.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.8 m -119.67 143.05 32.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.038 0.447 . . . . 0.0 110.759 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.481 ' O ' ' HB2' ' A' ' 79' ' ' GLN . . . -95.43 36.36 1.26 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.192 -178.154 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.575 ' HA ' ' CH2' ' A' ' 11' ' ' TRP . 28.6 t70 53.22 -106.27 0.29 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.759 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 98.2 mt -149.41 -56.53 0.19 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 176.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.52 -34.34 72.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.303 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.481 ' HB2' ' O ' ' A' ' 75' ' ' ALA . 9.6 mm100 -67.02 -29.39 69.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.648 -178.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 44.9 m -58.87 -38.04 77.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.05 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.26 -49.28 74.65 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.325 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.38 -43.78 84.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.394 -178.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.401 HD13 ' CB ' ' A' ' 75' ' ' ALA . 54.3 mt -68.11 -39.24 81.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.399 -177.216 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.67 -37.24 92.03 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.997 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -77.36 -41.69 39.33 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.956 0.408 . . . . 0.0 110.315 176.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -53.57 -41.67 66.77 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.42 -177.681 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -107.66 6.75 28.07 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.591 -177.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 61.15 43.55 10.99 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.12 0.486 . . . . 0.0 111.056 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 90' ' ' ARG . 15.8 t -93.08 -0.19 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.193 -177.196 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.6 ' HA ' ' HE ' ' A' ' 90' ' ' ARG . 6.1 mmp_? 70.54 -176.64 0.2 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.648 -173.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 42.8 ttm180 -105.8 65.98 0.72 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.36 0.6 . . . . 0.0 110.036 178.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -138.15 138.45 23.14 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.89 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.401 ' HB3' ' HA ' ' A' ' 43' ' ' SER . 13.9 Cg_endo -59.67 114.87 2.25 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.392 2.061 . . . . 0.0 111.998 177.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -151.76 147.88 27.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.477 -177.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.0 m -81.72 128.06 33.58 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.661 176.002 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.12 124.42 35.33 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.858 178.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 47.5 t -96.83 104.12 15.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.165 -177.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.522 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 41.7 m-85 -106.65 133.78 50.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.59 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.01 145.8 25.09 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.43 -175.373 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 p30 56.15 15.07 1.7 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.743 0.817 . . . . 0.0 112.141 -177.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.43 -10.3 71.23 Favored Glycine 0 N--CA 1.442 -0.95 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.313 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.508 ' HZ1' ' HB2' ' A' ' 102' ' ' LYS . 10.2 mtmp? -116.21 168.93 9.68 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.544 -178.329 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.522 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 61.5 tp -89.89 134.45 34.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.729 -178.203 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.435 ' HA ' ' HD3' ' A' ' 104' ' ' ARG . 27.4 mmt180 -103.55 -24.79 13.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.271 177.561 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 155.09 178.36 29.28 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.447 176.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -105.06 148.5 26.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.88 99.46 6.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.257 0.551 . . . . 0.0 111.681 -176.048 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.6 m -98.55 68.36 1.83 Allowed 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 167.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -78.84 103.75 2.02 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.448 -175.034 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.426 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 41.2 pt -81.18 -178.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.426 0.155 . . . . 0.0 110.746 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.426 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 21.6 m80 71.54 147.93 0.12 Allowed Pre-proline 0 N--CA 1.468 0.473 0 O-C-N 123.717 0.636 . . . . 0.0 111.204 -178.055 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.63 62.91 3.77 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 123.054 2.503 . . . . 0.0 112.954 -178.634 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 5.9 t-105 72.16 113.69 0.06 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.795 175.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 178.92 -71.88 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.601 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.5 -29.75 63.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.381 -168.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.549 HD22 HD21 ' A' ' 61' ' ' LEU . 10.5 tt -55.19 -39.48 69.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.402 -177.794 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.85 -48.95 79.57 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.294 -177.261 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.5 m -60.51 -46.82 88.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.018 0.437 . . . . 0.0 111.08 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.427 HD12 ' HA ' ' A' ' 119' ' ' LEU . 4.2 mm? -70.08 -49.51 50.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.793 -175.778 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.485 ' SD ' HD23 ' A' ' 116' ' ' LEU . 58.0 mtp -70.71 -27.56 64.07 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -176.472 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -65.11 -35.8 82.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.017 0.437 . . . . 0.0 111.256 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 t -66.54 -29.56 69.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.607 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.73 -38.41 78.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.968 -176.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 33.4 m -78.54 31.05 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -173.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -75.8 -13.94 60.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.304 0.573 . . . . 0.0 110.127 175.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 9.1 p -61.16 126.64 86.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.477 -179.138 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 75.4 Cg_endo -91.3 126.38 1.04 Allowed 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 122.895 2.397 . . . . 0.0 113.141 -179.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.11 -6.4 19.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.316 176.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 64.31 -167.28 0.22 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.282 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.41 124.36 49.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.141 0.496 . . . . 0.0 111.216 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -156.65 -21.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.156 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 7.4 t -96.04 115.76 27.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.258 0.551 . . . . 0.0 109.716 173.703 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 31.4 m -109.93 147.5 14.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.612 -175.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 60.09 90.17 0.06 Allowed 'General case' 0 C--O 1.234 0.264 0 O-C-N 124.027 0.83 . . . . 0.0 111.271 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.416 HD11 ' O ' ' A' ' 135' ' ' LEU . 4.0 pp -104.23 135.59 45.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.039 -179.516 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 65.22 109.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.034 -0.984 . . . . 0.0 113.226 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -147.31 86.92 1.63 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.422 168.631 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -87.14 159.04 19.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.215 -178.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -154.45 150.54 27.97 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.044 -0.263 . . . . 0.0 111.102 -175.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 7.9 t60 76.05 101.47 0.07 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.999 0.812 . . . . 0.0 111.646 175.521 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -106.03 -35.59 7.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.221 173.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 . . . . . 0 C--O 1.249 1.071 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.559 175.197 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.888 0.375 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.18 119.11 23.5 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.029 0.443 . . . . 0.0 111.536 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -96.59 79.2 3.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 173.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.03 126.43 36.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.778 -174.447 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -99.29 106.35 38.37 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.932 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.85 -16.3 16.33 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.851 2.368 . . . . 0.0 111.979 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -129.24 87.38 2.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.408 -0.815 . . . . 0.0 108.918 178.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.9 p -117.15 20.48 13.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.16 -175.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.615 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -51.64 -52.84 44.7 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.424 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.401 HD12 ' N ' ' A' ' 10' ' ' LEU . 6.5 mp -61.74 -40.35 94.79 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.825 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 50.3 t-105 -60.9 -50.32 73.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.946 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.51 -35.46 70.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.572 178.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.615 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 20.4 mmm180 -65.52 -30.09 70.81 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.995 0.426 . . . . 0.0 110.56 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.3 mt -72.31 -45.59 59.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.282 178.417 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 82.5 mt -60.64 -42.16 96.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.603 178.243 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.2 m -60.22 -25.28 65.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.097 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 ttm-85 -79.94 8.61 6.64 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.102 0.477 . . . . 0.0 110.885 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.24 22.35 25.06 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.108 173.441 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 45.0 m0 -100.83 131.87 46.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.965 0.412 . . . . 0.0 110.967 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.487 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 28.0 mp0 -91.57 133.67 30.72 Favored Pre-proline 0 N--CA 1.446 -0.655 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.902 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.487 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 6.3 Cg_exo -78.85 121.92 5.2 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 123.029 2.486 . . . . 0.0 111.562 175.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.7 m -111.35 155.98 12.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.102 0.477 . . . . 0.0 111.698 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -104.94 166.43 10.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.931 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.414 ' HA ' HG12 ' A' ' 83' ' ' ILE . . . -59.36 -42.34 91.34 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -176.435 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 p -90.17 -38.43 13.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.971 0.415 . . . . 0.0 111.49 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 m -72.26 -23.66 61.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.01 -174.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.55 ' O ' HG13 ' A' ' 31' ' ' ILE . 13.6 p -62.01 -31.89 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.423 0.154 . . . . 0.0 110.822 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.55 -51.54 69.42 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.188 0.518 . . . . 0.0 111.106 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.615 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 25.6 t70 -74.17 -28.26 61.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.126 0.489 . . . . 0.0 110.641 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -59.17 -43.05 92.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 172.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 27' ' ' VAL . 75.8 mt -59.05 -40.26 80.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.255 176.132 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.615 ' HB3' ' O ' ' A' ' 29' ' ' ASP . 1.4 tmmm? -51.67 -40.29 59.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.382 174.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -78.1 -46.48 20.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.407 -172.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.2 m -80.69 -40.74 19.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.97 -175.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.94 -51.38 4.07 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 111.657 -0.577 . . . . 0.0 111.657 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -123.56 147.04 47.66 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.1 -174.75 32.53 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.411 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.457 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 19.1 m -137.76 142.16 37.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.183 0.516 . . . . 0.0 111.372 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.539 HG13 ' HB1' ' A' ' 73' ' ' ALA . 3.5 mp -113.47 122.27 67.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.225 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.539 ' HB2' HG13 ' A' ' 74' ' ' VAL . 78.4 mt -87.43 119.38 27.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.1 mt -74.57 152.43 39.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.418 0.628 . . . . 0.0 110.987 177.625 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.562 ' HB2' ' CB ' ' A' ' 80' ' ' SER . 7.0 m -103.3 -141.38 0.36 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.758 -176.521 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.517 ' O ' ' HB3' ' A' ' 44' ' ' ASP . 50.4 m 71.56 135.98 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 O-C-N 123.713 0.633 . . . . 0.0 110.685 -177.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.517 ' HB3' ' O ' ' A' ' 43' ' ' SER . 28.7 t70 78.09 116.17 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.542 0 O-C-N 124.059 0.849 . . . . 0.0 110.493 -174.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.29 122.24 9.04 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.908 2.405 . . . . 0.0 113.094 -175.578 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -70.01 91.01 0.66 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.297 0.57 . . . . 0.0 110.788 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 44.7 mtm180 -144.58 42.55 1.36 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.2 p 46.9 61.55 13.29 Favored Pre-proline 0 N--CA 1.465 0.314 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.49 -166.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 58.8 Cg_endo -80.49 -83.33 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 122.225 1.95 . . . . 0.0 112.149 -175.414 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -97.21 -29.75 13.39 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.6 m -131.84 -171.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.096 178.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.3 p -88.44 150.84 22.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.754 0.312 . . . . 0.0 110.878 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.94 90.68 8.0 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -176.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -128.51 84.1 64.17 Favored Pre-proline 0 C--N 1.322 -0.62 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.885 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -93.78 2.88 3.14 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.765 2.31 . . . . 0.0 111.596 173.33 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.2 t -89.12 -38.86 11.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-O 121.222 0.534 . . . . 0.0 110.769 -175.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.9 ttt -75.23 -2.84 29.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.511 -174.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.425 HG12 HD21 ' A' ' 40' ' ' LEU . 11.3 tp -69.84 -29.15 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.53 -32.41 72.34 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.964 176.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.01 -37.6 85.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.006 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.674 HD23 HD22 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -67.12 -45.35 77.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.229 179.794 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.68 -39.86 88.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.606 -176.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -74.69 -2.81 27.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.718 0.294 . . . . 0.0 111.435 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.451 ' C ' ' HD3' ' A' ' 66' ' ' PRO . 57.1 mm-40 -91.35 -7.05 52.0 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 175.303 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -122.42 70.36 34.14 Favored Pre-proline 0 C--O 1.235 0.295 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.446 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.451 ' HD3' ' C ' ' A' ' 64' ' ' GLU . 3.2 Cg_exo -80.96 54.27 5.17 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 123.391 2.727 . . . . 0.0 112.101 -175.616 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -117.63 -36.69 3.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.627 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 5.6 m-85 -106.9 161.54 14.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.144 -178.601 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -90.68 89.68 7.62 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.627 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 77.3 m95 -80.32 132.51 35.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.653 0.74 . . . . 0.0 112.29 -172.484 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -115.26 140.62 48.94 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.406 -1.27 . . . . 0.0 108.962 172.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.9 t -107.62 114.05 45.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.136 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.539 ' HB1' HG13 ' A' ' 39' ' ' ILE . . . -115.36 146.16 41.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.616 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.539 HG13 ' HB2' ' A' ' 40' ' ' LEU . 20.9 m -134.67 167.38 26.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.659 -178.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.38 166.16 20.08 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.561 ' CG ' ' H ' ' A' ' 77' ' ' LEU . 5.2 p-10 -70.64 -93.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -177.299 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.561 ' H ' ' CG ' ' A' ' 76' ' ' ASP . 98.1 mt -144.78 -44.44 0.24 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -78.02 -53.68 7.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.847 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.458 ' O ' HG13 ' A' ' 83' ' ' ILE . 1.7 mp0 -60.63 -28.76 68.8 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.616 178.434 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.562 ' CB ' ' HB2' ' A' ' 42' ' ' SER . 3.6 m -56.24 -45.28 80.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.618 178.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -65.7 -40.21 92.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.071 -178.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.72 -36.65 84.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.857 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 79' ' ' GLN . 69.6 mt -65.24 -46.76 89.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-O 120.937 0.399 . . . . 0.0 110.515 177.125 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.3 -37.23 93.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.983 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.71 -48.08 83.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.899 0.38 . . . . 0.0 111.012 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 -60.48 -38.14 83.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.718 -0.673 . . . . 0.0 112.102 -175.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -97.15 -1.38 45.23 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.24 -176.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 12.2 m120 61.91 64.17 1.04 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.504 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.4 p -67.16 159.46 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.573 173.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -67.37 -67.55 0.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.087 -178.612 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -164.68 -43.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.953 0.406 . . . . 0.0 111.381 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -101.48 157.93 32.73 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.405 -176.488 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -49.53 128.23 20.27 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.988 2.459 . . . . 0.0 112.444 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -138.15 161.98 35.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.493 -176.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.471 HG21 HD22 ' A' ' 40' ' ' LEU . 28.1 m -96.43 130.95 43.46 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.756 175.635 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.457 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.3 mm? -91.95 124.2 35.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.293 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.1 t -99.94 113.0 34.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.435 -177.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.506 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 34.4 m-85 -111.59 136.82 50.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.32 -178.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 80.6 p -150.09 152.58 35.01 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 176.002 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.4 p30 53.87 19.21 1.85 Allowed 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.734 0.647 . . . . 0.0 112.59 176.287 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.81 -6.96 81.83 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.957 -0.639 . . . . 0.0 113.042 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -116.33 147.53 41.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.671 0.736 . . . . 0.0 112.199 -177.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.506 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 63.9 tp -72.44 122.02 20.55 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.362 175.368 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.653 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -90.14 -36.71 14.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.457 -178.892 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 167.94 179.17 40.37 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.135 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -107.64 160.24 15.84 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -134.67 113.25 11.51 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.7 p -124.45 102.14 7.5 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.954 176.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.439 ' O ' HD11 ' A' ' 116' ' ' LEU . . . 161.09 90.13 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -177.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 39.3 mm -92.26 -23.99 5.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.169 0.509 . . . . 0.0 110.73 -173.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.4 t-80 -85.61 -54.73 0.42 Allowed Pre-proline 0 CA--C 1.541 0.611 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.141 -173.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 56.4 Cg_endo -70.46 98.35 0.75 Allowed 'Trans proline' 0 C--N 1.358 1.057 0 C-N-CA 121.918 1.745 . . . . 0.0 112.516 -179.748 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -76.51 -52.1 10.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.245 -174.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.08 -18.29 63.22 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.559 -175.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -91.91 -37.33 12.95 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 120.994 0.426 . . . . 0.0 110.032 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.674 HD22 HD23 ' A' ' 61' ' ' LEU . 7.3 tt -56.86 -50.24 73.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.428 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.567 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 4.3 mm? -53.81 -45.0 70.66 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.818 -177.467 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 21.0 m -63.92 -47.62 79.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.687 0.279 . . . . 0.0 111.384 -177.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.3 -44.49 52.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.33 -177.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -35.92 78.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 110.129 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.567 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -59.09 -43.22 91.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.037 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.2 m -63.32 -30.92 71.97 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 121.211 0.529 . . . . 0.0 110.668 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 65.6 mt -69.52 -38.39 76.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.938 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 29.0 m -100.86 25.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -69.01 -27.9 66.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.873 0.368 . . . . 0.0 110.387 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.2 m 72.12 88.48 0.09 OUTLIER Pre-proline 0 C--O 1.234 0.253 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.211 176.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -83.47 -8.48 10.51 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 123.381 2.721 . . . . 0.0 112.225 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . 0.443 ' HA ' ' O ' ' A' ' 131' ' ' GLU . . . -60.53 -21.22 62.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.744 -177.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.72 -22.57 67.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.497 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -122.31 -36.22 2.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.709 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.443 ' O ' ' HA ' ' A' ' 128' ' ' ALA . 44.2 tt0 -121.29 100.84 7.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.965 0.412 . . . . 0.0 110.454 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 13.8 t -141.87 167.52 21.93 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.46 ' O ' ' HB2' ' A' ' 134' ' ' GLN . 21.2 t -127.81 -38.83 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -172.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.46 ' HB2' ' O ' ' A' ' 133' ' ' VAL . 1.7 mp0 66.99 99.94 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.596 0.56 . . . . 0.0 109.525 -170.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -103.49 89.36 3.34 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.625 -173.458 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -89.09 174.03 8.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.666 172.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 71.25 5.31 5.4 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.479 0.656 . . . . 0.0 110.671 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -70.2 137.82 51.23 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 176.514 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -67.1 126.12 28.19 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.517 -175.515 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -110.71 152.92 25.98 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.328 -176.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -95.38 147.11 23.86 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 173.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.406 -0.807 . . . . 0.0 109.66 178.139 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.8 mmt . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 64.44 -169.74 0.2 Allowed 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.504 0.502 . . . . 0.0 110.717 -174.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -133.83 4.71 3.59 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.236 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -92.73 129.34 38.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.015 0.436 . . . . 0.0 111.322 -178.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.6 HG23 ' HB2' ' A' ' 76' ' ' ASP . 81.1 p -102.92 173.21 3.64 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.258 175.338 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.613 ' HD3' ' OD1' ' A' ' 76' ' ' ASP . 52.3 Cg_exo -55.32 -42.97 63.12 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 121.915 1.744 . . . . 0.0 111.213 175.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.1 t80 58.71 19.1 6.5 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.058 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.47 160.1 26.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.51 -178.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.13 -29.09 69.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.04 0.447 . . . . 0.0 110.374 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.544 ' H ' HD12 ' A' ' 10' ' ' LEU . 5.3 mp -63.78 -27.97 69.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.23 176.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 42.2 t-105 -81.61 -52.02 7.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.281 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -58.81 -33.6 70.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.147 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.644 ' HG3' HD23 ' A' ' 14' ' ' LEU . 11.1 ptp180 -63.88 -29.74 70.9 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -177.557 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.644 HD23 ' HG3' ' A' ' 13' ' ' ARG . 3.9 mm? -75.31 -32.34 60.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.825 0.345 . . . . 0.0 110.397 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.8 mt -63.93 -30.92 71.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.252 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.7 m -59.93 -26.19 65.75 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.132 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -82.75 10.6 7.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.015 0.435 . . . . 0.0 110.834 -176.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.93 21.18 31.36 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.49 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 38.0 m0 -94.56 130.05 41.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.058 0.456 . . . . 0.0 110.557 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -93.11 122.71 62.85 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.043 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -77.5 115.73 3.95 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.317 2.011 . . . . 0.0 111.76 174.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.3 m -110.8 171.64 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.891 0.377 . . . . 0.0 111.324 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.454 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 45.9 mt-10 -111.44 170.41 8.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.94 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.514 ' HB1' ' HB3' ' A' ' 79' ' ' GLN . . . -72.36 -48.96 37.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.064 0.459 . . . . 0.0 110.95 -176.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.0 m -78.13 -30.06 49.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.07 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m -90.63 -13.02 35.16 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -172.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.454 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 11.8 p -62.01 -31.48 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.658 0.266 . . . . 0.0 110.9 -179.034 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -59.15 -47.79 84.0 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.232 0.539 . . . . 0.0 110.783 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -65.68 -40.71 92.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.991 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -59.51 -49.24 78.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.797 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.416 HG13 ' O ' ' A' ' 27' ' ' VAL . 92.7 mt -59.78 -42.46 88.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -25.69 68.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.184 0.516 . . . . 0.0 110.354 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -80.37 -46.21 16.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.024 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 m -82.49 -43.47 19.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.256 -175.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.82 -56.88 3.74 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.056 -0.592 . . . . 0.0 111.653 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.4 ' OD1' ' HA ' ' A' ' 99' ' ' THR . 51.4 m-20 -113.97 139.92 48.84 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.384 -0.408 . . . . 0.0 110.072 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.04 174.07 34.34 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.068 -1.063 . . . . 0.0 112.934 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.505 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 10.1 m -131.77 127.97 59.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.139 0.495 . . . . 0.0 110.709 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.463 HG13 ' HB2' ' A' ' 73' ' ' ALA . 4.1 mp -111.29 134.57 53.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.163 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.523 HD12 HG13 ' A' ' 74' ' ' VAL . 76.7 mt -87.37 129.01 35.19 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 177.424 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.514 ' HG ' HD21 ' A' ' 96' ' ' LEU . 24.0 mt -79.71 -170.48 2.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.412 0.625 . . . . 0.0 111.836 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.463 ' N ' ' HB2' ' A' ' 80' ' ' SER . 90.3 p -70.58 112.79 7.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.642 -176.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.2 t -89.76 92.08 8.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.129 0.49 . . . . 0.0 111.2 -175.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -153.64 88.81 3.58 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.306 172.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -91.16 98.35 0.23 Allowed 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 123.097 2.531 . . . . 0.0 112.963 -177.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.4 mtp-105 -96.27 -29.61 13.91 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 174.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -93.59 104.18 16.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.063 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.8 m 69.89 90.06 0.08 OUTLIER Pre-proline 0 C--N 1.327 -0.381 0 O-C-N 124.063 0.852 . . . . 0.0 111.011 -177.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -80.55 -162.39 0.18 Allowed 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.979 2.453 . . . . 0.0 111.275 174.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 65.53 26.73 11.71 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.195 0.521 . . . . 0.0 110.044 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.431 HG22 ' HA ' ' A' ' 110' ' ' ILE . 14.5 p -159.02 144.69 6.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.78 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.9 m 57.32 42.0 25.73 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.395 0.617 . . . . 0.0 110.835 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.52 -42.24 95.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.844 -178.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.436 ' OD1' HG13 ' A' ' 56' ' ' VAL . 24.3 t-20 -169.05 138.69 1.77 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.057 -0.974 . . . . 0.0 108.605 178.254 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 15.0 Cg_exo -70.49 43.59 0.44 Allowed 'Trans proline' 0 CA--C 1.534 0.513 0 C-N-CA 123.337 2.691 . . . . 0.0 114.006 -176.084 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.436 HG13 ' OD1' ' A' ' 54' ' ' ASN . 2.7 m -87.24 79.02 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.786 0.803 . . . . 0.0 109.558 174.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.588 ' HB2' ' HZ3' ' A' ' 113' ' ' TRP . 17.7 ptp 168.96 -25.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 113.953 -1.476 . . . . 0.0 108.602 -174.372 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 8.6 tp -69.17 -28.71 40.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.602 -171.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.514 ' O ' ' HG3' ' A' ' 63' ' ' ARG . . . -67.96 -51.51 46.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 110.707 -178.184 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.441 ' HA ' ' HD2' ' A' ' 63' ' ' ARG . 7.7 pt-20 -70.61 -29.44 65.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.989 -178.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 61' ' ' LEU . 1.3 tm? -60.4 -56.95 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.358 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.428 HD13 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -64.0 -20.66 66.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.732 -178.554 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.514 ' HG3' ' O ' ' A' ' 59' ' ' ALA . 58.1 mtt180 -72.72 -5.69 39.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.339 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -84.65 -6.51 59.37 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.727 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -119.61 80.61 23.43 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -86.67 43.34 1.02 Allowed 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.846 2.364 . . . . 0.0 112.31 -175.811 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -110.08 -51.25 2.89 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.003 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.578 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 9.4 m-85 -94.41 165.51 12.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.536 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -102.09 82.62 2.24 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.578 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 61.2 m95 -70.38 147.87 49.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.479 -172.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -126.77 131.13 51.37 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 172.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.9 t -92.79 113.95 28.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.463 ' HB2' HG13 ' A' ' 39' ' ' ILE . . . -114.31 140.46 48.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.91 -178.299 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.523 HG13 HD12 ' A' ' 40' ' ' LEU . 16.0 m -118.69 142.83 31.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.292 178.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.5 151.11 31.95 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.672 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.824 ' HB3' ' HG2' ' A' ' 79' ' ' GLN . 2.9 t70 -53.87 147.66 11.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.535 175.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.42 -32.83 71.72 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -174.019 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -79.74 -43.27 22.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.998 0.428 . . . . 0.0 110.264 176.671 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.824 ' HG2' ' HB3' ' A' ' 76' ' ' ASP . 11.2 mm-40 -64.21 -34.83 78.99 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.323 -176.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.463 ' HB2' ' N ' ' A' ' 42' ' ' SER . 2.6 p -62.04 -26.98 68.57 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.891 0.701 . . . . 0.0 112.891 -174.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.8 -43.37 88.91 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.154 0.502 . . . . 0.0 109.664 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.8 -34.58 78.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.131 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.5 mt -68.52 -44.18 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.379 177.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.2 -33.0 86.04 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.562 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -70.96 -48.12 55.17 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.33 0.252 . . . . 0.0 111.084 177.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.637 ' HA ' ' NE ' ' A' ' 86' ' ' ARG . 1.0 OUTLIER -52.67 -47.03 67.43 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.092 -177.094 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -88.94 -0.82 57.74 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.361 -177.651 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.428 ' N ' HD21 ' A' ' 88' ' ' ASN . 0.9 OUTLIER 57.8 36.4 26.41 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.428 0.455 . . . . 0.0 110.378 -178.688 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.3 t -61.07 -69.41 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.62 -175.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.429 ' HA ' ' HD2' ' A' ' 90' ' ' ARG . 5.9 tpt180 177.89 -158.45 0.02 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.205 176.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -123.9 29.25 6.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.759 0.314 . . . . 0.0 111.132 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.584 ' HE2' ' HG ' ' A' ' 108' ' ' SER . 44.9 p90 -138.57 158.05 71.06 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -61.93 123.62 12.95 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.875 2.384 . . . . 0.0 112.474 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.476 ' HB2' ' HB1' ' A' ' 106' ' ' ALA . . . -151.45 159.88 43.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.638 -179.063 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 6.4 m -99.03 136.84 38.41 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.514 HD21 ' HG ' ' A' ' 41' ' ' LEU . 3.0 mm? -91.68 125.27 36.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.838 0.352 . . . . 0.0 110.561 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.6 t -95.06 100.06 10.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.065 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.459 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 25.3 m-85 -103.81 136.35 43.65 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.368 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.4 ' HA ' ' OD1' ' A' ' 36' ' ' ASP . 0.2 OUTLIER -150.73 136.92 18.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.978 -178.232 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 57.58 17.13 3.76 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.955 0.902 . . . . 0.0 111.943 -178.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.77 -11.54 70.92 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.249 -176.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.11 148.72 29.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.378 0.608 . . . . 0.0 112.267 -179.268 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.459 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 65.6 tp -82.99 136.1 34.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.349 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.6 mmt-85 -100.12 -39.34 8.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.847 176.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 165.51 -166.91 38.69 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.088 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.476 ' HB1' ' HB2' ' A' ' 94' ' ' ALA . . . -111.92 156.26 22.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.673 0.273 . . . . 0.0 110.919 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -135.32 127.8 30.55 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.584 ' HG ' ' HE2' ' A' ' 92' ' ' PHE . 9.1 m -102.31 143.1 32.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.965 -176.176 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -81.24 92.12 1.47 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.983 -0.627 . . . . 0.0 111.765 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.431 ' HA ' HG22 ' A' ' 51' ' ' VAL . 31.7 pt -90.42 166.58 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.958 0.408 . . . . 0.0 111.401 -176.792 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.424 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 14.0 m170 -84.47 -52.89 0.52 Allowed Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.921 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.424 ' HD2' ' N ' ' A' ' 111' ' ' HIS . 39.1 Cg_endo -67.34 99.07 0.48 Allowed 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 121.72 1.613 . . . . 0.0 112.316 178.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.588 ' HZ3' ' HB2' ' A' ' 57' ' ' MET . 6.5 t-105 -77.76 111.49 13.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.37 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 176.67 -62.89 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.008 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -68.75 -28.33 66.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.254 -175.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.3 tt -56.41 -41.67 76.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.117 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.23 -56.97 15.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.483 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 27.8 m -63.79 -39.92 95.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.486 -178.214 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.403 ' O ' HG12 ' A' ' 123' ' ' ILE . 2.0 tm? -65.51 -51.35 60.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.729 0.3 . . . . 0.0 110.353 -176.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 27.3 ttt -69.07 -36.42 77.62 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.039 -177.617 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -63.61 -35.54 80.87 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.685 0.279 . . . . 0.0 111.222 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.0 t -66.42 -30.17 70.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.033 0.444 . . . . 0.0 110.512 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 119' ' ' LEU . 51.8 mm -79.36 -47.45 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 26.7 m -83.33 5.86 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.456 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -60.04 -29.24 68.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.014 0.435 . . . . 0.0 110.407 178.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 65.0 m 70.52 102.06 0.04 OUTLIER Pre-proline 0 C--O 1.233 0.226 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.079 173.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.89 123.29 7.29 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.992 2.461 . . . . 0.0 111.477 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 65.82 -173.09 0.18 Allowed 'General case' 0 C--N 1.332 -0.171 0 O-C-N 123.662 0.601 . . . . 0.0 111.44 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.436 ' C ' ' H ' ' A' ' 131' ' ' GLU . . . -113.28 -13.77 12.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.204 -179.095 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.404 ' O ' ' HB2' ' A' ' 131' ' ' GLU . 7.5 tt0 73.95 -17.87 0.43 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.229 0.611 . . . . 0.0 111.421 179.05 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.436 ' H ' ' C ' ' A' ' 129' ' ' ALA . 33.7 mt-10 71.1 155.89 0.15 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.425 0.69 . . . . 0.0 110.084 -170.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.42 ' HB ' ' O ' ' A' ' 131' ' ' GLU . 37.8 m 72.42 112.61 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 -161.366 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.494 ' C ' ' H ' ' A' ' 135' ' ' LEU . 23.6 m -81.38 -19.09 11.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -166.198 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 67.45 -9.69 0.4 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.714 0.405 . . . . 0.0 111.568 -174.452 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.494 ' H ' ' C ' ' A' ' 133' ' ' VAL . 1.4 tt -79.13 77.31 5.63 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 175.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -90.05 100.14 13.02 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.766 -170.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . 0.549 ' O ' ' HB2' ' A' ' 138' ' ' HIS . 78.9 t60 69.95 -6.46 1.08 Allowed 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 170.406 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.549 ' HB2' ' O ' ' A' ' 137' ' ' HIS . 12.6 m-70 71.78 155.75 0.16 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.832 0.453 . . . . 0.0 110.072 -171.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -67.29 121.16 15.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.162 0.506 . . . . 0.0 110.198 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -98.64 134.03 42.15 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -151.64 139.66 20.1 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.069 0.462 . . . . 0.0 110.539 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 . . . . . 0 C--O 1.246 0.906 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.087 178.047 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ttt . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 120.74 0.305 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.62 100.68 2.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.508 -176.552 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -83.69 -16.65 44.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 174.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -57.35 -36.02 70.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.683 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.3 m 57.47 79.85 0.31 Allowed Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.626 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -94.6 95.46 0.12 Allowed 'Trans proline' 0 N--CA 1.449 -1.09 0 C-N-CA 123.171 2.581 . . . . 0.0 112.177 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.429 ' CG ' ' N ' ' A' ' 8' ' ' SER . 38.8 t80 64.04 -176.47 0.16 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.027 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.429 ' N ' ' CG ' ' A' ' 7' ' ' PHE . 22.8 m -77.15 69.2 3.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.277 0.561 . . . . 0.0 109.928 175.73 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.64 88.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.286 -177.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.705 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 9.4 mp -60.95 -52.25 65.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.319 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.436 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 69.1 t-105 -61.24 -58.9 6.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.423 -175.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -53.63 -39.56 65.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.111 -177.56 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.454 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 34.1 mmt180 -73.07 -31.63 64.51 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -177.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.705 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 77.9 mt -68.99 -30.43 68.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.177 0.513 . . . . 0.0 109.956 177.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.471 HD23 ' HG3' ' A' ' 21' ' ' PRO . 77.2 mt -63.14 -43.37 98.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.745 173.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 m -69.69 -26.64 64.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.969 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -70.95 -24.78 62.49 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.598 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.47 27.14 4.54 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.205 173.179 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.586 ' CZ3' HD22 ' A' ' 14' ' ' LEU . 52.2 m0 -99.43 144.05 28.98 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.747 0.308 . . . . 0.0 110.694 177.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.6 tp60 -82.16 123.37 79.56 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.115 -174.264 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.471 ' HG3' HD23 ' A' ' 15' ' ' LEU . 2.8 Cg_exo -74.97 107.73 2.55 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.876 2.384 . . . . 0.0 111.062 175.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.8 m -109.65 156.19 10.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.33 0.586 . . . . 0.0 112.251 -174.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.449 ' HB2' HG22 ' A' ' 26' ' ' THR . 26.6 mt-10 -111.37 165.27 12.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.069 -0.969 . . . . 0.0 108.811 176.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.37 -27.81 68.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.099 0.476 . . . . 0.0 111.114 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.8 p -76.8 -58.45 3.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.219 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.449 HG22 ' HB2' ' A' ' 23' ' ' GLU . 10.0 t -76.21 -20.22 57.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.3 -173.529 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.2 p -59.77 -37.54 71.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 121.024 -0.271 . . . . 0.0 111.262 -176.626 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.68 -45.51 92.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.124 0.488 . . . . 0.0 110.335 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.91 -38.46 76.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.447 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -59.53 -48.7 80.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.689 177.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.1 mt -61.88 -43.13 96.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.421 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -60.2 -30.21 69.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.284 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 33' ' ' ARG . 20.2 ttt180 -80.39 -46.57 15.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.578 -176.153 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.4 m -82.64 -34.07 11.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.055 0.455 . . . . 0.0 111.283 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.54 -55.28 4.98 Favored Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 111.674 -0.571 . . . . 0.0 111.674 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -120.83 133.41 55.31 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -175.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.92 177.88 39.51 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.268 -0.968 . . . . 0.0 112.482 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.414 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 29.4 m -130.03 140.49 48.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.144 0.497 . . . . 0.0 110.927 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.517 HG13 ' HB2' ' A' ' 73' ' ' ALA . 3.4 mp -113.89 127.66 71.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.922 178.184 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.7 mt -102.9 130.16 49.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.695 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.0 mt -82.48 159.2 22.94 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.149 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.5 t -56.1 114.69 2.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.092 0.472 . . . . 0.0 110.31 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.4 m -84.42 53.09 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.357 -174.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.427 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 36.1 t70 -83.92 -52.45 0.57 Allowed Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.352 177.028 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.61 ' HG2' ' HD3' ' A' ' 93' ' ' PRO . 49.1 Cg_endo -71.78 140.0 34.65 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 121.801 1.667 . . . . 0.0 110.973 169.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.661 HH21 HD22 ' A' ' 10' ' ' LEU . 57.6 mtt85 -138.18 136.09 36.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.67 0.272 . . . . 0.0 110.925 -173.204 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 50.6 ttt-85 -70.65 -54.75 10.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.998 0.428 . . . . 0.0 110.306 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.1 p -110.37 136.94 20.53 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.019 -178.283 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.71 -21.96 64.57 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.734 2.29 . . . . 0.0 112.477 177.308 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -96.93 134.9 39.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.713 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 83.7 t 76.25 -32.55 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 123.46 0.704 . . . . 0.0 112.872 169.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.6 t -77.36 9.52 3.15 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -174.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.465 ' C ' HD21 ' A' ' 54' ' ' ASN . 0.5 OUTLIER -64.41 -58.83 5.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 111.112 178.206 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.465 HD21 ' C ' ' A' ' 53' ' ' ASP . 0.9 OUTLIER -125.7 137.84 30.78 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.018 -175.656 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -77.14 93.54 1.08 Allowed 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.509 2.139 . . . . 0.0 112.085 175.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.2 t -116.31 -27.23 2.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.411 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 86.0 mtp -88.86 11.04 19.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.867 -174.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.4 tp -82.57 -14.67 12.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.174 0.511 . . . . 0.0 110.184 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.04 -52.52 14.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.146 -173.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -63.37 -28.63 70.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 111.44 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.523 HD21 HD23 ' A' ' 116' ' ' LEU . 2.4 tm? -56.12 -56.59 18.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.805 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.73 -22.65 65.55 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.164 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -72.84 -11.64 60.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.575 0.226 . . . . 0.0 111.018 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -89.21 -12.48 40.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.87 0.367 . . . . 0.0 110.458 -175.304 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -117.68 76.81 10.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.351 . . . . 0.0 110.623 178.206 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -87.55 43.52 0.91 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.673 2.249 . . . . 0.0 112.004 -176.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -96.74 -41.57 8.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.065 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -117.57 178.89 4.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.047 -177.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -104.33 105.5 15.66 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 172.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 36.1 m95 -94.4 143.45 26.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.142 -175.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -118.05 156.71 28.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.127 171.008 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.2 t -117.67 125.67 74.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.041 0.448 . . . . 0.0 110.252 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.517 ' HB2' HG13 ' A' ' 39' ' ' ILE . . . -118.55 153.88 33.48 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.37 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.7 m -129.52 146.21 34.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.077 0.465 . . . . 0.0 111.806 -178.268 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.56 129.44 49.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.154 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.479 ' OD2' ' HG ' ' A' ' 77' ' ' LEU . 21.3 t70 -46.96 -84.9 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 O-C-N 124.002 0.814 . . . . 0.0 112.614 -176.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.479 ' HG ' ' OD2' ' A' ' 76' ' ' ASP . 4.0 pp -165.05 -41.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 173.702 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -68.98 -42.45 76.55 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 171.337 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -62.79 -32.83 74.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.532 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.7 m -61.37 -36.28 79.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.524 0.202 . . . . 0.0 111.091 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.46 -49.73 74.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.246 0.546 . . . . 0.0 110.189 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.93 69.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.424 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.7 mt -61.88 -45.46 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.144 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.81 -43.75 98.84 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.123 179.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -66.49 -42.25 87.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.921 0.391 . . . . 0.0 110.973 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.0 tpt85 -61.7 -38.47 87.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.835 -177.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -93.21 0.8 57.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.195 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 60.75 36.23 19.38 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.071 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.6 p -95.42 27.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.53 0.681 . . . . 0.0 110.342 -176.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.421 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 12.5 mmt85 66.5 -153.39 0.23 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.796 -177.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -127.19 56.69 1.51 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.915 0.388 . . . . 0.0 110.711 -177.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.421 ' CE2' ' HB2' ' A' ' 90' ' ' ARG . 54.5 p90 -144.24 154.43 57.41 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 176.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.61 ' HD3' ' HG2' ' A' ' 45' ' ' PRO . 21.2 Cg_endo -63.01 116.67 3.71 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.27 1.98 . . . . 0.0 112.467 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.56 144.81 32.1 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.639 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.401 ' HB ' ' HB3' ' A' ' 107' ' ' LEU . 17.0 m -76.85 126.65 31.34 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.255 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.414 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.3 mm? -91.33 123.86 35.09 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 176.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 47.0 t -102.44 105.37 17.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.474 -176.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.505 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 41.3 m-85 -107.9 137.73 45.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.336 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.4 133.76 17.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.653 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.3 t70 65.31 15.11 9.84 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.689 0.757 . . . . 0.0 110.72 -176.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.34 0.43 88.42 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.101 -177.168 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . 0.561 ' HD3' ' N ' ' A' ' 103' ' ' LEU . 12.7 tmtt? -112.03 144.63 41.07 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -177.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.561 ' N ' ' HD3' ' A' ' 102' ' ' LYS . 58.0 tp -78.98 110.5 14.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.539 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -77.98 -38.34 45.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.501 178.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 170.42 -173.74 44.36 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.089 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -117.83 166.12 12.85 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.753 HD13 ' HG ' ' A' ' 116' ' ' LEU . 0.5 OUTLIER -130.97 101.06 5.46 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -177.958 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.7 t -90.03 154.23 19.98 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.682 175.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -83.74 79.55 1.9 Allowed Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.952 178.191 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.537 ' H ' HD11 ' A' ' 110' ' ' ILE . 3.8 mp -64.11 -46.03 94.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.451 0.643 . . . . 0.0 109.272 176.398 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.556 ' CD2' ' HG3' ' A' ' 115' ' ' GLU . 90.8 m-70 -142.0 150.41 55.95 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 174.57 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -63.06 102.88 0.33 Allowed 'Trans proline' 0 C--O 1.236 0.407 0 C-N-CA 122.367 2.044 . . . . 0.0 111.798 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 61.12 -168.84 0.17 Allowed 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.63 -178.695 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 67.93 -72.95 0.09 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.63 0.772 . . . . 0.0 111.666 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.556 ' HG3' ' CD2' ' A' ' 111' ' ' HIS . 34.1 mm-40 -63.78 -29.26 70.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.074 0.464 . . . . 0.0 110.557 -177.452 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.753 ' HG ' HD13 ' A' ' 107' ' ' LEU . 6.5 tt -55.84 -45.59 78.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.734 -179.182 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.603 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 3.4 mm? -58.28 -46.44 86.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.575 -176.151 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.5 m -70.12 -39.36 75.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.324 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -70.96 -50.81 30.46 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.876 0.37 . . . . 0.0 110.636 -176.536 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.493 ' SD ' HD13 ' A' ' 61' ' ' LEU . 28.3 ttt -70.08 -22.78 63.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.834 -177.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.603 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 39.2 ttt180 -55.56 -43.97 76.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.593 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 36.4 t -75.47 -29.92 59.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.72 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 47.7 mm -62.9 -48.31 88.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.966 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 35.6 m -95.33 13.92 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.695 -176.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -58.7 -65.06 0.72 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.209 -176.546 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 61.9 m 68.97 113.29 0.03 OUTLIER Pre-proline 0 CA--C 1.534 0.356 0 CA-C-O 121.175 0.512 . . . . 0.0 112.141 176.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.49 178.52 5.53 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.381 2.054 . . . . 0.0 111.809 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.95 65.95 6.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.144 0.497 . . . . 0.0 111.226 -176.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -91.39 -26.92 18.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.399 0.619 . . . . 0.0 109.648 174.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -110.69 -23.76 10.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.88 177.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 61.37 88.49 0.09 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.743 -176.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.2 t -91.81 117.3 29.65 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.26 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.1 p -127.98 119.22 50.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.464 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 64.3 83.48 0.16 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.936 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 22.5 tp -136.69 18.3 3.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.443 0.64 . . . . 0.0 109.85 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -72.17 105.1 3.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.017 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -92.02 91.45 7.84 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 174.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -77.31 122.88 25.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.507 -176.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -75.12 147.02 40.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.172 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -88.88 -55.32 3.74 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 177.49 -53.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 41.2 t60 . . . . . 0 C--O 1.245 0.848 0 CA-C-N 114.904 -1.044 . . . . 0.0 108.492 175.543 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.716 0.293 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -176.28 -56.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.1 m120 65.81 77.13 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.347 169.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -136.3 -48.97 0.66 Allowed 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 172.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.4 m 56.95 78.7 0.36 Allowed Pre-proline 0 C--O 1.235 0.337 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.719 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -80.38 -165.15 0.32 Allowed 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.516 2.144 . . . . 0.0 111.591 176.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -49.6 -52.56 29.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.974 177.766 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.6 m 66.66 104.07 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.217 0 O-C-N 123.797 0.685 . . . . 0.0 111.554 176.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.401 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -60.0 -47.51 85.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.94 -175.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.568 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 93.4 mt -67.67 -33.95 75.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.252 -178.163 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.533 ' CZ3' ' HA ' ' A' ' 76' ' ' ASP . 67.6 t-105 -59.15 -58.12 10.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.746 -174.525 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -53.73 -42.36 68.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.048 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 17.8 mmm180 -61.79 -28.22 69.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.404 -177.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 69.3 mt -73.46 -45.83 51.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 176.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.36 -47.17 80.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.011 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.7 m -59.9 -25.74 65.34 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.108 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . 0.482 ' HD2' ' CZ2' ' A' ' 19' ' ' TRP . 7.5 ttm180 -70.34 -11.88 61.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.372 -179.155 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.26 29.39 4.54 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.159 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.493 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 33.9 m0 -107.55 144.27 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.83 0.347 . . . . 0.0 110.773 -178.199 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -107.35 133.44 20.36 Favored Pre-proline 0 N--CA 1.448 -0.562 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -75.86 123.59 7.5 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.342 2.028 . . . . 0.0 111.476 174.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.1 m -111.08 158.19 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.196 0.522 . . . . 0.0 111.689 -177.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -114.78 168.95 9.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.621 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.98 -36.59 83.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.937 0.398 . . . . 0.0 111.033 -177.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.8 p -100.1 4.35 44.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.393 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.3 m -116.83 -20.14 9.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.828 0.347 . . . . 0.0 110.971 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.468 ' O ' HG13 ' A' ' 31' ' ' ILE . 11.4 p -61.56 -36.78 75.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.485 -176.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.411 ' HA ' HD12 ' A' ' 31' ' ' ILE . 7.4 p-10 -66.26 -29.31 69.52 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.076 0.465 . . . . 0.0 110.641 -178.54 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -74.55 -38.97 62.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.013 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -65.42 -43.31 90.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.347 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.468 HG13 ' O ' ' A' ' 27' ' ' VAL . 84.9 mt -56.28 -46.63 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.713 177.227 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.431 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -63.98 -27.59 69.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.092 178.712 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -44.06 25.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.921 -176.643 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.2 m -86.31 -42.72 15.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.65 -54.07 4.36 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.447 -176.106 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -124.94 141.25 52.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.89 -178.49 39.3 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.565 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.0 m -131.99 139.76 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.035 0.445 . . . . 0.0 110.933 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.43 HG13 ' HB2' ' A' ' 73' ' ' ALA . 3.3 mp -109.8 124.92 66.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.055 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.7 mt -101.49 121.57 42.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.492 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.2 mt -76.79 159.45 30.1 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.555 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 10.4 t -53.32 113.65 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 178.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.7 m -80.07 94.02 5.88 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.107 -177.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -84.41 118.11 70.35 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.695 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.492 ' HA ' ' OD1' ' A' ' 53' ' ' ASP . 26.3 Cg_exo -62.83 83.79 0.11 Allowed 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.967 2.444 . . . . 0.0 112.315 -178.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -125.66 8.0 7.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.055 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -75.39 -66.18 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.483 HG21 ' H ' ' A' ' 51' ' ' VAL . 2.0 t -159.75 146.38 12.31 Favored Pre-proline 0 N--CA 1.448 -0.568 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.641 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.65 -12.86 37.0 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.547 2.164 . . . . 0.0 112.01 175.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -75.59 -63.22 1.34 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.548 0.689 . . . . 0.0 110.331 178.267 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.483 ' H ' HG21 ' A' ' 48' ' ' THR . 39.2 t -111.25 106.63 21.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.097 -178.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.0 t -78.03 134.38 37.79 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.492 ' OD1' ' HA ' ' A' ' 45' ' ' PRO . 7.7 p-10 -76.78 84.71 3.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.97 0.89 . . . . 0.0 110.841 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -96.25 138.4 21.57 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.15 178.16 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.68 44.95 0.8 Allowed 'Trans proline' 0 CA--C 1.535 0.54 0 C-N-CA 123.094 2.529 . . . . 0.0 112.424 176.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.414 ' HA ' HH12 ' A' ' 17' ' ' ARG . 7.2 p -100.72 -10.73 8.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.3 0.571 . . . . 0.0 110.591 -176.757 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 66.0 mtm -110.85 4.99 20.25 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.124 -175.128 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.1 tp -81.52 -20.49 10.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.039 0.447 . . . . 0.0 110.751 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.492 ' O ' ' HG ' ' A' ' 62' ' ' LEU . . . -69.28 -49.39 56.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.123 -176.4 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -59.81 -29.91 68.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.305 177.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.886 HD13 ' HG3' ' A' ' 120' ' ' MET . 2.4 tm? -69.31 -57.49 5.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.151 178.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.492 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 4.0 pp -61.98 -36.18 80.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.786 -175.323 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -73.96 2.61 8.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.729 -176.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -91.09 -13.94 32.17 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.519 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -115.23 82.72 9.39 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.897 -178.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -86.38 43.14 1.03 Allowed 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.726 2.284 . . . . 0.0 112.208 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -101.21 -44.72 5.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.597 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.472 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 4.2 m-85 -108.94 171.43 7.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.632 178.779 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -99.77 93.14 5.65 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 173.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.472 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 36.7 m95 -82.14 137.11 35.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.151 -174.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -121.52 148.22 44.76 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.345 170.138 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.493 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 28.3 t -108.22 131.57 58.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 120.922 0.391 . . . . 0.0 110.332 -178.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.43 ' HB2' HG13 ' A' ' 39' ' ' ILE . . . -114.82 147.69 39.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.123 177.388 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.0 m -118.7 137.38 52.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.982 0.42 . . . . 0.0 110.773 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.457 ' HB2' HD11 ' A' ' 83' ' ' ILE . . . -87.69 17.66 4.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.243 -178.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.533 ' HA ' ' CZ3' ' A' ' 11' ' ' TRP . 25.2 t70 61.12 -107.44 0.29 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.669 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.555 ' HA ' ' HB2' ' A' ' 42' ' ' SER . 5.3 mp -148.71 -58.05 0.22 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 176.044 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -61.29 -50.31 73.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.342 -177.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.47 ' NE2' ' H ' ' A' ' 79' ' ' GLN . 2.2 mp0 -67.35 -23.75 65.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.987 -176.092 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.3 m -54.37 -39.95 67.68 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -175.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -68.88 -40.53 79.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.88 0.371 . . . . 0.0 110.329 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.54 -41.74 79.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.865 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.457 HD11 ' HB2' ' A' ' 75' ' ' ALA . 65.2 mt -67.14 -40.61 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.428 178.212 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.74 -38.15 95.99 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.919 -0.657 . . . . 0.0 111.524 174.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -63.29 -37.79 88.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.225 0.536 . . . . 0.0 110.602 175.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -67.38 -35.32 79.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.303 -177.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -98.68 -2.13 39.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.623 0.249 . . . . 0.0 111.221 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 66.5 27.64 9.68 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.159 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.9 t -128.43 112.68 27.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.635 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.415 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 13.4 ptt180 -156.32 -165.95 2.03 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.825 -0.171 . . . . 0.0 111.337 -175.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.415 ' HB3' ' O ' ' A' ' 90' ' ' ARG . 52.2 ttp180 74.62 -50.6 0.67 Allowed 'General case' 0 N--CA 1.47 0.527 0 O-C-N 124.037 0.836 . . . . 0.0 110.771 -177.309 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -114.54 123.78 31.7 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 175.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.66 122.48 11.83 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 122.512 2.142 . . . . 0.0 111.492 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.457 ' HB1' ' H ' ' A' ' 108' ' ' SER . . . -138.28 153.89 49.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.188 -173.112 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.6 m -84.36 126.74 33.5 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.195 175.492 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.427 ' HB2' ' HB ' ' A' ' 39' ' ' ILE . 3.6 mm? -92.35 124.56 36.5 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 173.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.557 HG13 HG22 ' A' ' 123' ' ' ILE . 28.0 t -102.72 117.52 48.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.092 0.472 . . . . 0.0 110.889 -175.124 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 23.9 m-85 -114.99 135.86 53.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.337 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.32 138.01 19.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.492 176.651 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 61.99 23.94 14.18 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.339 0.399 . . . . 0.0 110.643 -176.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.41 15.63 75.16 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.161 -175.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -118.6 144.96 45.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.868 0.366 . . . . 0.0 110.696 -178.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.4 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 58.8 tp -86.02 122.42 30.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.919 177.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -86.58 -31.55 21.14 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.031 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 147.75 -168.69 28.65 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.581 178.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.33 168.46 9.14 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.29 -39.29 12.14 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.457 ' H ' ' HB1' ' A' ' 94' ' ' ALA . 50.1 m 56.23 29.89 15.64 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.863 -178.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -62.76 110.01 3.04 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.804 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 16.8 tt -109.25 -10.78 11.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.734 0.778 . . . . 0.0 109.041 175.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.404 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 27.9 m170 -108.43 133.03 20.73 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.866 176.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 111' ' ' HIS . 80.4 Cg_exo -48.75 -73.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.476 0.465 0 C-N-CA 123.473 2.782 . . . . 0.0 114.08 -171.53 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 6.5 t-105 -148.66 119.84 7.78 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.148 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 178.59 -70.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.501 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -74.46 -17.3 60.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.302 -178.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.93 -39.75 78.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.435 -177.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.94 -50.83 70.57 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.1 m -57.38 -50.17 73.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.143 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.16 -49.58 76.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.134 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.886 ' HG3' HD13 ' A' ' 61' ' ' LEU . 11.7 mmt -58.97 -39.87 83.06 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.405 ' HD3' ' HA ' ' A' ' 121' ' ' ARG . 25.1 mmt180 -64.33 -39.97 94.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.059 0.457 . . . . 0.0 111.007 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.7 t -65.36 -30.4 71.23 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.648 176.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.557 HG22 HG13 ' A' ' 97' ' ' VAL . 81.5 mt -78.07 -47.21 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.373 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 32.9 m -75.1 0.16 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.018 0.437 . . . . 0.0 111.329 -178.702 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -66.87 -46.16 75.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.597 175.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.554 ' HB ' ' HD2' ' A' ' 127' ' ' PRO . 68.1 p 59.76 162.3 0.1 OUTLIER Pre-proline 0 N--CA 1.475 0.804 0 C-N-CA 124.806 1.242 . . . . 0.0 113.233 173.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.554 ' HD2' ' HB ' ' A' ' 126' ' ' THR . 32.7 Cg_endo -67.22 -13.54 39.93 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.504 2.136 . . . . 0.0 112.378 175.103 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 60.32 97.11 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.348 0.659 . . . . 0.0 112.288 176.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 53.66 76.48 0.22 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.231 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -122.24 -76.02 0.59 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.155 -177.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -144.46 100.39 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.141 0.496 . . . . 0.0 110.513 177.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 61.5 m -130.98 102.7 6.15 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.762 178.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 26.9 m -77.23 150.83 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.436 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -144.03 91.32 2.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.59 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.624 ' HG ' ' HB3' ' A' ' 138' ' ' HIS . 6.0 tt 62.57 99.71 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.852 0.72 . . . . 0.0 111.131 176.102 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -95.2 -76.22 0.5 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.13 0.49 . . . . 0.0 109.973 177.41 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -114.21 8.85 16.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.343 0.592 . . . . 0.0 109.593 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.624 ' HB3' ' HG ' ' A' ' 135' ' ' LEU . 16.8 t60 -60.92 113.6 2.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.658 -178.336 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -76.37 140.29 41.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.935 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -72.45 120.15 17.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.465 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -113.19 143.24 44.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.905 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 31.0 m170 . . . . . 0 C--O 1.243 0.748 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.25 173.906 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptm . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 120.876 0.37 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.62 -55.66 1.91 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.641 173.589 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -171.4 -44.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.43 174.672 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.6 t70 68.43 110.42 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.556 0.742 . . . . 0.0 111.94 175.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.449 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 3.0 m -96.16 118.08 65.82 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.122 178.562 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 3.8 Cg_endo -85.68 -6.32 8.83 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.916 2.411 . . . . 0.0 112.605 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -125.42 -174.97 3.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.172 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.3 t 66.33 85.6 0.14 Allowed 'General case' 0 C--N 1.333 -0.152 0 O-C-N 123.77 0.668 . . . . 0.0 109.749 -177.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.31 89.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.691 -174.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.2 tt -63.19 -29.14 70.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.369 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -86.48 -53.82 4.77 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.274 178.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -58.95 -25.84 63.88 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.468 -174.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.661 ' HG3' HD23 ' A' ' 14' ' ' LEU . 26.2 ptt180 -58.69 -29.57 66.74 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.503 0.192 . . . . 0.0 111.404 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.661 HD23 ' HG3' ' A' ' 13' ' ' ARG . 3.2 mm? -74.36 -32.71 62.87 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.109 0.481 . . . . 0.0 110.203 178.378 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.426 ' HA ' ' O ' ' A' ' 19' ' ' TRP . 20.7 mt -69.28 -35.28 75.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.954 -177.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.7 m -61.86 -25.32 67.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.453 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -76.43 -4.36 42.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.943 0.401 . . . . 0.0 110.801 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.91 10.58 39.71 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.932 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.55 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 42.2 m0 -96.54 131.82 42.77 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.855 0.359 . . . . 0.0 110.502 -177.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -80.79 134.67 53.19 Favored Pre-proline 0 N--CA 1.449 -0.505 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.397 -175.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -79.31 100.98 1.37 Allowed 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.559 2.173 . . . . 0.0 111.557 176.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.0 m -99.78 163.44 2.85 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.821 0 CA-C-O 121.963 0.887 . . . . 0.0 111.797 -177.412 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.35 -164.17 1.0 Allowed 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 114.091 -1.413 . . . . 0.0 109.986 -172.683 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.11 -29.98 20.2 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.272 0.558 . . . . 0.0 110.099 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.0 t -95.65 -49.86 5.19 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.094 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.8 p -71.64 -13.75 61.85 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -173.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.16 -30.47 48.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 120.777 0.322 . . . . 0.0 110.74 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -67.96 -45.93 72.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.127 0.489 . . . . 0.0 109.889 -179.034 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.2 -37.03 77.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.545 -178.353 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.416 ' O ' HG23 ' A' ' 34' ' ' VAL . 90.5 t90 -55.97 -49.8 72.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.673 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.0 mt -60.1 -45.5 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.636 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -58.39 -37.25 74.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.027 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.2 ttt-85 -75.61 -46.12 33.55 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.57 -173.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 30' ' ' TRP . 33.3 m -85.73 -37.06 11.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.019 -174.02 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.73 -53.67 4.73 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.049 -0.596 . . . . 0.0 111.903 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -115.43 123.7 49.27 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -178.481 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.18 173.49 41.88 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.479 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.429 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 13.6 m -132.58 139.58 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.963 0.411 . . . . 0.0 110.998 -179.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.6 mp -104.47 125.46 59.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.905 177.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.486 ' HB2' HG11 ' A' ' 74' ' ' VAL . 23.5 mt -102.12 128.2 48.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.416 176.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.4 mt -81.44 154.1 26.55 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 173.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.41 ' CB ' ' HA ' ' A' ' 77' ' ' LEU . 48.3 t -52.66 127.3 22.57 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.481 0.488 . . . . 0.0 110.687 179.021 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.5 m -54.52 101.06 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 123.784 0.678 . . . . 0.0 111.348 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -139.39 125.72 12.34 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 177.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.07 -43.54 55.56 Favored 'Trans proline' 0 CA--C 1.528 0.21 0 C-N-CA 122.867 2.378 . . . . 0.0 112.693 -176.403 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.431 HH11 ' HD3' ' A' ' 46' ' ' ARG . 61.9 mtt-85 49.82 86.88 0.03 OUTLIER 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.681 0.613 . . . . 0.0 112.004 -177.627 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 75.1 -61.58 0.48 Allowed 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.087 178.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.421 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 20.6 p -123.94 119.09 26.77 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -174.522 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 48' ' ' THR . 5.7 Cg_exo -78.41 15.41 1.4 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.46 2.773 . . . . 0.0 112.176 177.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.448 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 36.5 tt0 -60.78 136.31 58.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.706 178.368 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.448 ' HB ' ' O ' ' A' ' 50' ' ' GLU . 88.5 t 79.18 -30.26 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 123.316 0.647 . . . . 0.0 110.212 -174.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.44 ' H ' ' C ' ' A' ' 50' ' ' GLU . 25.9 t 77.44 -93.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 123.873 0.869 . . . . 0.0 112.369 171.762 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.58 ' OD2' ' HD3' ' A' ' 55' ' ' PRO . 20.3 t70 -177.36 -82.78 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -170.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 53.52 73.45 0.92 Allowed Pre-proline 0 N--CA 1.469 0.486 0 C-N-CA 123.042 0.537 . . . . 0.0 112.122 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.58 ' HD3' ' OD2' ' A' ' 53' ' ' ASP . 97.5 Cg_endo -79.08 2.52 8.23 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.633 2.222 . . . . 0.0 112.32 -176.476 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.3 t -101.15 -21.73 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.456 0.646 . . . . 0.0 109.604 176.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.3 tpt -80.92 -23.48 38.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.144 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.1 tt -67.0 -18.8 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.095 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.31 -46.21 91.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.988 0.423 . . . . 0.0 110.433 177.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -64.16 -30.88 71.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.46 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -59.38 -57.36 13.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.222 0.534 . . . . 0.0 110.035 179.5 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.6 mt -68.39 -27.38 66.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.739 -176.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -67.87 -13.24 61.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.601 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -82.71 -9.55 59.31 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -117.75 81.42 15.11 Favored Pre-proline 0 N--CA 1.452 -0.327 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.0 176.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -83.79 13.71 2.61 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.973 2.448 . . . . 0.0 112.037 -177.33 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -67.32 -43.13 82.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.113 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.72 166.91 15.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.739 -178.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -92.75 100.48 12.96 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 168.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -76.33 148.85 37.18 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.54 -172.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.3 133.28 54.17 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.138 175.25 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.55 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 17.0 t -104.43 126.03 59.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.231 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.77 134.7 54.16 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.067 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.486 HG11 ' HB2' ' A' ' 40' ' ' LEU . 6.2 m -118.63 149.71 21.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.666 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.499 ' HB1' ' HB3' ' A' ' 79' ' ' GLN . . . -119.84 146.55 45.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.917 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.32 160.34 5.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.708 175.04 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.41 ' HA ' ' CB ' ' A' ' 42' ' ' SER . 2.6 pt? -58.94 -33.59 70.79 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.936 -0.305 . . . . 0.0 111.387 -174.674 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -77.55 -44.1 29.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.129 0.49 . . . . 0.0 109.993 176.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.499 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -56.5 -36.26 68.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.04 178.494 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.7 m -61.49 -35.62 78.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.343 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -69.66 -40.35 76.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.148 0.499 . . . . 0.0 109.693 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.59 -45.94 74.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.16 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.84 -37.29 79.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.992 0.425 . . . . 0.0 110.45 177.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.4 -31.33 76.96 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.799 175.551 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.07 -47.31 25.09 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 175.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -52.01 -39.55 59.64 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.229 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -102.84 -9.58 19.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.692 0.282 . . . . 0.0 110.715 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 55.69 62.01 2.59 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 122.127 0.965 . . . . 0.0 111.224 -174.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.455 HG23 HD12 ' A' ' 96' ' ' LEU . 12.0 t -125.0 17.82 4.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 114.251 -1.34 . . . . 0.0 108.159 176.025 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.4 ttm-85 -73.72 81.74 1.58 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.129 -175.411 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -141.56 -45.17 0.36 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.077 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.454 ' HB2' ' HD2' ' A' ' 93' ' ' PRO . 46.3 p90 -154.65 163.89 22.79 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.268 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.454 ' HD2' ' HB2' ' A' ' 92' ' ' PHE . 23.5 Cg_endo -61.61 127.76 22.63 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.398 2.066 . . . . 0.0 111.401 175.246 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -153.51 156.19 37.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.961 0.41 . . . . 0.0 111.029 -173.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.8 m -99.75 132.74 44.9 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.282 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.455 HD12 HG23 ' A' ' 89' ' ' VAL . 3.4 mm? -91.53 124.51 35.75 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.5 t -98.68 103.02 14.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.032 -175.043 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.416 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 16.6 m-85 -106.95 127.23 53.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.868 178.194 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.0 p -140.58 133.08 28.57 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.57 -178.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.639 ' O ' ' HG3' ' A' ' 134' ' ' GLN . 22.3 t70 62.0 24.04 14.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.341 0.591 . . . . 0.0 110.481 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.29 -3.12 82.79 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.769 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -113.82 150.04 34.1 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 122.323 -0.516 . . . . 0.0 111.714 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.416 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 58.2 tp -85.78 130.05 34.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.844 178.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -99.02 -29.4 12.92 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.28 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 156.9 -159.22 29.44 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.984 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -107.68 171.13 7.56 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -111.77 117.24 32.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.072 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.8 m -134.72 150.48 50.59 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.776 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -128.38 131.38 6.91 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.411 -0.9 . . . . 0.0 112.516 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.452 HD11 ' N ' ' A' ' 110' ' ' ILE . 4.0 mp -78.41 -47.81 23.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.337 0.589 . . . . 0.0 109.792 178.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.541 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . 38.4 m80 -133.86 157.59 77.44 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.162 177.168 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.06 97.03 0.11 Allowed 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.573 2.182 . . . . 0.0 111.746 176.775 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER 60.52 -167.6 0.18 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.328 -177.131 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 68.66 -56.87 0.51 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.468 0.707 . . . . 0.0 110.943 -174.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.541 ' HG3' ' HB2' ' A' ' 111' ' ' HIS . 3.0 mm-40 -72.49 -29.95 64.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.72 0.771 . . . . 0.0 109.406 177.34 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.711 ' O ' ' HG2' ' A' ' 120' ' ' MET . 4.3 mt -66.59 -37.43 84.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.6 -1.182 . . . . 0.0 112.411 -175.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 96.5 mt -49.82 -50.46 45.1 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -168.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.7 m -85.34 -40.07 16.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.884 0.373 . . . . 0.0 111.166 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -64.47 -50.56 67.0 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.519 -171.782 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.711 ' HG2' ' O ' ' A' ' 116' ' ' LEU . 27.3 ptt? -73.05 -30.32 63.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.941 0.4 . . . . 0.0 110.622 -175.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -74.12 -36.77 64.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.29 -175.289 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.1 t -63.86 -30.76 71.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.831 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 68.3 mt -60.93 -41.47 89.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.046 0.451 . . . . 0.0 110.965 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 28.1 m -104.32 11.5 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.014 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.45 -31.17 60.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.363 0.601 . . . . 0.0 110.22 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.0 p -119.05 89.95 40.27 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.056 175.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -73.85 -12.21 23.99 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.83 2.353 . . . . 0.0 112.54 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -90.39 160.46 16.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.451 0.643 . . . . 0.0 111.546 -177.495 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . 0.497 ' O ' ' HB3' ' A' ' 130' ' ' GLN . . . -159.53 84.26 0.76 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 175.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.497 ' HB3' ' O ' ' A' ' 129' ' ' ALA . 48.0 tp60 72.24 121.09 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 O-C-N 124.291 0.994 . . . . 0.0 109.667 -165.735 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -60.97 136.6 58.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.796 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 8.6 m 63.22 58.99 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.519 0.676 . . . . 0.0 110.142 -176.025 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 12.8 p -111.43 -28.07 2.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.279 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . 0.639 ' HG3' ' O ' ' A' ' 100' ' ' ASP . 0.6 OUTLIER -98.89 114.72 27.46 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.273 0.559 . . . . 0.0 110.44 -179.134 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.42 ' C ' ' H ' ' A' ' 137' ' ' HIS . 94.1 mt -139.78 165.64 26.74 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.611 174.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -77.55 42.12 0.35 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.08 0.466 . . . . 0.0 110.365 176.582 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . 0.42 ' H ' ' C ' ' A' ' 135' ' ' LEU . 43.2 m170 69.38 -74.02 0.08 Allowed 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.813 -173.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -152.4 155.19 37.08 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 173.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -120.27 79.03 1.41 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.219 0.533 . . . . 0.0 110.546 -174.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -98.76 69.85 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 176.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -174.87 138.46 0.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.221 -176.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.092 179.071 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.99 15.9 8.79 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 169.051 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -83.25 -13.6 54.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.151 0.501 . . . . 0.0 110.283 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -135.88 116.02 13.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.536 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.0 m -120.29 127.01 26.54 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.221 177.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.19 107.15 0.44 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.747 2.298 . . . . 0.0 111.623 176.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -106.71 118.69 37.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.784 -176.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.6 m -147.66 173.82 12.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.282 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.88 -29.25 70.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.797 0.332 . . . . 0.0 111.208 -177.093 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.19 -30.53 69.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.564 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 55.7 t-105 -85.72 -50.52 7.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.61 176.073 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -51.56 -35.0 39.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.516 -0.765 . . . . 0.0 112.584 -178.243 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.627 ' HG3' HD22 ' A' ' 14' ' ' LEU . 20.0 ptt180 -59.7 -30.61 68.91 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 111.709 0.262 . . . . 0.0 111.709 -177.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.627 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.0 mm? -72.41 -40.2 67.36 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.227 0.536 . . . . 0.0 110.052 178.085 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.0 mt -66.67 -32.82 74.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.746 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.6 m -67.23 -25.77 66.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.643 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -77.88 0.48 23.9 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.297 0.57 . . . . 0.0 110.442 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.92 31.83 9.6 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.632 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.1 m0 -104.22 134.85 46.76 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -90.0 130.81 41.12 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.222 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 75.1 Cg_endo -81.27 113.85 2.72 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.375 2.05 . . . . 0.0 111.323 172.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.9 m -102.53 154.57 5.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.147 0.498 . . . . 0.0 111.636 -176.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.461 ' HB2' ' HB ' ' A' ' 26' ' ' THR . 44.8 mt-10 -104.09 174.11 6.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.459 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.85 -36.32 70.12 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.34 177.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.2 p -101.91 12.74 36.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.238 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.461 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 12.8 m -129.14 -17.83 3.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.842 0.354 . . . . 0.0 111.315 -178.572 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.436 ' O ' HG13 ' A' ' 31' ' ' ILE . 14.0 p -64.17 -32.31 56.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.648 0.261 . . . . 0.0 110.981 -178.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -62.11 -47.09 86.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.545 -177.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.76 -39.6 92.18 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.056 0.455 . . . . 0.0 110.424 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 53.3 t90 -64.05 -50.94 66.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.059 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 27' ' ' VAL . 91.9 mt -57.98 -47.33 86.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.557 -177.6 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -25.3 63.74 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.517 -176.179 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 21.3 ttt180 -81.63 -46.59 14.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.994 0.426 . . . . 0.0 111.218 179.65 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.2 m -74.55 -35.51 38.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.063 -177.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.9 -52.61 4.49 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.175 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -125.48 136.33 53.25 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -175.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.22 -177.54 40.58 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.293 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.42 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 23.2 m -135.39 138.54 48.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.024 0.44 . . . . 0.0 111.019 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.529 HG13 ' HB3' ' A' ' 73' ' ' ALA . 2.4 mp -108.86 126.83 65.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.448 176.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.477 ' HB2' HG13 ' A' ' 74' ' ' VAL . 87.1 mt -96.15 125.65 40.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.043 177.139 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.9 mt -81.39 156.11 25.58 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -54.54 119.35 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.485 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.2 m -82.69 82.57 7.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.987 -171.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -123.1 88.46 51.03 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 172.617 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -85.68 -70.37 0.01 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.678 2.252 . . . . 0.0 112.034 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 177.98 -32.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -174.57 144.0 0.84 Allowed 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.466 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 8.8 p -64.32 113.38 10.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 120.65 0.262 . . . . 0.0 110.338 175.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.466 ' HD3' ' HA ' ' A' ' 48' ' ' THR . 57.9 Cg_endo -92.67 113.83 0.29 Allowed 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 123.256 2.638 . . . . 0.0 113.861 -172.291 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 59.72 -96.38 0.06 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.496 173.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.2 m -133.99 2.73 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.019 0.438 . . . . 0.0 110.521 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.2 m -88.21 72.54 9.06 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.512 0.672 . . . . 0.0 110.843 -175.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 7.2 p-10 -158.43 -177.04 6.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.994 177.128 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.483 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 61.9 m-80 75.34 143.85 0.1 Allowed Pre-proline 0 N--CA 1.472 0.642 0 O-C-N 123.919 0.762 . . . . 0.0 111.155 -173.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 92.3 Cg_endo -78.78 17.99 1.06 Allowed 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 123.547 2.831 . . . . 0.0 112.956 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.43 ' C ' ' H ' ' A' ' 58' ' ' ILE . 35.8 m -87.22 171.19 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.547 -177.481 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.438 ' HB3' ' HZ3' ' A' ' 113' ' ' TRP . 65.6 mtm 73.48 -33.7 0.27 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.543 0.737 . . . . 0.0 112.339 177.035 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.43 ' H ' ' C ' ' A' ' 56' ' ' VAL . 11.3 tp -59.14 -32.53 48.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.732 -176.391 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.81 -45.54 24.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.911 0.386 . . . . 0.0 111.625 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.37 -30.3 67.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.407 -177.104 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.504 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 2.1 tm? -57.99 -51.72 68.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.312 0.577 . . . . 0.0 109.853 177.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 85.0 mt -57.08 -31.63 65.43 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.999 -1.001 . . . . 0.0 112.023 -178.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 -75.46 2.35 11.75 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -172.635 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 61' ' ' LEU . 5.1 pt-20 -88.67 -4.26 58.59 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.787 174.103 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -110.42 82.52 2.79 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 175.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.447 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 97.1 Cg_endo -86.39 11.37 3.32 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.851 2.367 . . . . 0.0 113.414 -170.024 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -70.49 -47.18 61.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.901 0.381 . . . . 0.0 111.795 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -135.59 163.65 29.62 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.535 -176.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -83.28 113.07 20.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.612 -173.054 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -86.97 141.56 28.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.39 176.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -129.42 142.87 50.69 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.139 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.8 t -108.42 132.37 56.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.011 0.434 . . . . 0.0 110.596 -176.845 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.529 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -125.58 148.44 48.93 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.42 177.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.477 HG13 ' HB2' ' A' ' 40' ' ' LEU . 18.2 m -127.56 166.84 23.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.085 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -142.51 153.93 44.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.003 0.43 . . . . 0.0 111.376 -178.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -67.72 170.24 8.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.093 175.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.5 mp -52.87 -53.06 54.4 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 122.375 0.27 . . . . 0.0 111.253 179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.473 ' HG3' ' N ' ' A' ' 79' ' ' GLN . 6.3 pt-20 -69.94 -36.21 75.13 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.043 0.449 . . . . 0.0 110.762 -177.421 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.473 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 97.6 mt-30 -63.94 -43.83 94.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.11 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.4 m -65.42 -33.24 75.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.639 177.434 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -65.43 -51.84 57.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.342 177.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.86 -47.22 81.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.473 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 87.4 mt -66.08 -49.56 75.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.141 0.496 . . . . 0.0 110.59 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -58.85 -41.06 95.92 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.454 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.54 -37.78 87.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 111.08 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -62.57 -35.45 79.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.581 178.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -95.97 2.89 53.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.729 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 66.23 19.93 11.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.923 177.623 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.6 t -123.56 78.85 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.244 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -136.81 11.69 3.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.662 171.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -87.38 -20.82 26.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.342 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -151.21 142.52 15.4 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.546 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.4 134.08 40.2 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.693 2.262 . . . . 0.0 111.76 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -158.84 145.92 17.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.456 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.44 ' HB ' ' HB3' ' A' ' 107' ' ' LEU . 15.2 m -79.71 131.2 35.88 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.414 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.42 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.3 mm? -91.34 124.1 35.28 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.3 t -95.97 106.79 18.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.447 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -108.15 134.15 51.41 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.009 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -154.94 138.8 16.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.355 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.9 t70 65.82 14.84 9.78 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.566 0.698 . . . . 0.0 110.24 -178.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.75 2.36 90.64 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.389 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -111.17 157.73 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.389 . . . . 0.0 111.28 -178.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 60.9 tp -89.51 124.9 34.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.778 175.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -93.05 -25.13 18.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.989 0.424 . . . . 0.0 110.715 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 152.7 -166.86 31.44 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.194 178.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.58 145.36 41.37 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.44 ' HB3' ' HB ' ' A' ' 95' ' ' THR . 1.1 tm? -99.89 96.04 7.3 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 -176.432 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.2 t -117.74 122.16 42.74 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 174.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -97.12 131.03 10.45 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.545 -0.836 . . . . 0.0 113.721 -171.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 12.6 pt -78.41 -15.85 13.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.482 0.658 . . . . 0.0 109.704 171.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 13.1 m80 -150.68 151.21 30.07 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.505 172.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -61.57 -30.38 85.92 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.741 2.294 . . . . 0.0 113.033 -176.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.438 ' HZ3' ' HB3' ' A' ' 57' ' ' MET . 6.1 t-105 -149.47 -167.26 2.78 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 70.85 -74.92 0.08 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.712 0.805 . . . . 0.0 112.192 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -73.78 -22.5 59.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.143 0.497 . . . . 0.0 110.772 -175.567 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.8 tt -59.46 -41.27 89.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.78 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -55.83 -47.88 76.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.385 -175.6 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.9 m -62.56 -46.76 86.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.935 0.398 . . . . 0.0 111.315 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.552 ' O ' HG13 ' A' ' 123' ' ' ILE . 4.3 mm? -71.4 -49.82 38.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.472 -176.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.431 ' HA ' HD13 ' A' ' 123' ' ' ILE . 17.0 tpt -58.89 -41.01 86.15 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.904 0.383 . . . . 0.0 111.158 -178.145 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.41 HH11 ' HD2' ' A' ' 121' ' ' ARG . 17.5 ttt85 -67.38 -30.53 70.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.335 0.588 . . . . 0.0 110.521 -178.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.0 t -75.27 -29.68 60.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.66 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.552 HG13 ' O ' ' A' ' 119' ' ' LEU . 78.3 mt -61.78 -38.18 79.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.255 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.3 m -81.9 35.99 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-O 121.243 0.544 . . . . 0.0 111.267 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.66 -8.81 15.9 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.382 -0.827 . . . . 0.0 111.485 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.449 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 17.8 m -62.06 130.72 92.99 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.678 176.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.497 ' HA ' HG21 ' A' ' 133' ' ' VAL . 17.1 Cg_exo -68.48 62.2 1.15 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.061 2.507 . . . . 0.0 112.523 178.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -112.75 -9.12 13.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.088 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -112.69 138.68 49.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.431 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -73.96 93.57 2.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.18 0.514 . . . . 0.0 111.433 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.44 ' HG2' ' H ' ' A' ' 132' ' ' THR . 36.4 tt0 -167.97 173.55 8.05 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 175.029 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' THR . . . . . 0.44 ' H ' ' HG2' ' A' ' 131' ' ' GLU . 10.1 t -74.85 74.76 2.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 122.361 1.077 . . . . 0.0 111.053 -178.416 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.497 HG21 ' HA ' ' A' ' 127' ' ' PRO . 19.1 m -86.35 136.59 22.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.696 174.665 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -73.5 138.65 45.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.251 0.548 . . . . 0.0 110.831 -177.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 49.4 tp -79.03 -6.21 55.82 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.43 -174.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -74.38 102.27 4.36 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.849 0.833 . . . . 0.0 111.305 -178.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -128.08 100.53 5.91 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 173.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -66.07 105.46 1.36 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.345 0.593 . . . . 0.0 111.375 -170.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -98.19 127.39 44.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.265 178.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -139.78 115.92 10.43 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.474 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.415 ' O ' ' HB2' ' A' ' 142' ' ' HIS . 56.5 t-80 -70.24 86.0 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.342 0.401 . . . . 0.0 111.473 -174.691 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . 0.415 ' HB2' ' O ' ' A' ' 141' ' ' HIS . 12.5 t60 . . . . . 0 C--O 1.248 1.02 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.177 174.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.817 ' HE3' ' HA ' ' A' ' 91' ' ' ARG . 45.7 mtt . . . . . 0 N--CA 1.477 0.875 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.0 -173.37 0.18 Allowed 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -164.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -163.55 116.92 1.53 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.559 0.695 . . . . 0.0 111.746 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -76.48 -44.19 36.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.367 169.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.8 m 62.94 84.72 0.18 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.291 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -70.33 -42.37 2.86 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.325 2.017 . . . . 0.0 111.822 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.8 t80 61.34 -159.95 0.31 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.295 178.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.4 m 60.98 -157.71 0.34 Allowed 'General case' 0 C--O 1.237 0.429 0 CA-C-O 120.906 0.384 . . . . 0.0 111.691 176.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.564 ' HA ' ' HB3' ' A' ' 12' ' ' GLN . . . -58.48 -26.72 63.72 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.595 179.081 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.459 HD13 ' H ' ' A' ' 10' ' ' LEU . 6.3 mp -57.72 -38.54 75.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.781 0.324 . . . . 0.0 110.504 178.424 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 46.4 t-105 -83.33 -47.08 11.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.019 0.437 . . . . 0.0 110.165 175.683 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.564 ' HB3' ' HA ' ' A' ' 9' ' ' ALA . 30.2 tt0 -48.94 -34.36 12.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.827 177.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -53.0 -38.8 62.59 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 122.671 0.388 . . . . 0.0 111.627 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.629 HD21 HG11 ' A' ' 74' ' ' VAL . 7.7 mp -66.35 -36.16 82.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.99 0.424 . . . . 0.0 110.156 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.2 mt -75.45 -30.26 59.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.593 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.6 m -67.13 -33.88 76.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.011 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -81.46 172.39 13.57 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.3 45.01 2.51 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.953 -0.642 . . . . 0.0 113.434 -175.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.491 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 51.7 m0 -105.51 138.35 41.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.964 0.412 . . . . 0.0 111.254 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.422 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 2.3 mp0 -97.72 135.44 21.59 Favored Pre-proline 0 N--CA 1.449 -0.518 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.256 177.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 1.7 Cg_endo -81.45 118.22 3.19 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.61 2.206 . . . . 0.0 111.098 175.519 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.4 m -108.95 155.64 9.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.271 0.558 . . . . 0.0 111.88 -176.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.468 ' HB2' HG23 ' A' ' 26' ' ' THR . 43.8 mt-10 -117.96 168.35 10.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.567 177.199 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.16 -24.76 67.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.954 0.406 . . . . 0.0 111.301 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 p -91.11 -13.02 33.84 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -176.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.468 HG23 ' HB2' ' A' ' 23' ' ' GLU . 14.2 t -126.06 -6.73 6.62 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.565 -0.454 . . . . 0.0 112.124 -177.553 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -61.91 -39.2 82.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.601 0.239 . . . . 0.0 111.211 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -68.61 -28.7 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.846 -177.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -76.93 -43.06 36.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.563 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.435 ' O ' HG21 ' A' ' 34' ' ' VAL . 92.2 t90 -56.67 -46.83 80.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.089 178.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.455 HD13 ' CE1' ' A' ' 98' ' ' PHE . 63.8 mt -61.47 -41.51 90.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.716 178.643 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -57.72 -39.95 78.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.501 0.667 . . . . 0.0 111.039 175.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -78.98 -35.87 42.32 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.356 -171.251 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.558 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 26.8 m -86.41 -45.48 16.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.525 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.99 -61.82 0.59 Allowed Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.006 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -127.52 137.01 52.52 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -175.202 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 168.84 -171.59 42.91 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.054 -1.07 . . . . 0.0 112.893 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.461 HG22 HG11 ' A' ' 72' ' ' VAL . 15.3 m -136.55 138.68 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.979 0.418 . . . . 0.0 111.005 -178.314 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.531 HG13 ' HB3' ' A' ' 73' ' ' ALA . 2.0 mp -109.92 128.2 66.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.88 178.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.474 ' HB2' HG13 ' A' ' 74' ' ' VAL . 97.6 mt -96.93 132.89 42.26 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.249 178.328 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.0 mt -94.72 156.73 16.27 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.1 t -72.94 -55.64 6.3 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 175.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.466 ' O ' ' HB3' ' A' ' 44' ' ' ASP . 22.7 t 70.58 -50.03 0.66 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.355 -0.838 . . . . 0.0 112.533 173.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.55 ' OD2' ' HB2' ' A' ' 46' ' ' ARG . 31.6 t70 82.88 123.4 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.473 0 C-N-CA 124.571 1.148 . . . . 0.0 110.613 -174.268 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.535 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 5.3 Cg_exo -79.95 46.02 2.12 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.597 2.864 . . . . 0.0 112.275 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.55 ' HB2' ' OD2' ' A' ' 44' ' ' ASP . 79.2 ttt180 -62.13 -60.85 3.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.089 177.619 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 47' ' ' ARG . 21.6 ttt85 -110.53 141.2 44.01 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 173.833 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.5 m 65.13 78.88 0.25 Allowed Pre-proline 0 C--N 1.328 -0.354 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -167.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -89.76 -177.33 1.39 Allowed 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.226 2.617 . . . . 0.0 113.307 -172.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 71.41 -84.85 0.03 OUTLIER 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.521 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.3 p 41.34 47.84 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 CA-C-O 121.847 0.832 . . . . 0.0 111.403 -175.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 33.7 t 77.4 -31.12 0.17 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 114.724 -1.125 . . . . 0.0 111.751 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 30.4 t70 66.19 120.52 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.257 0.623 . . . . 0.0 110.55 -176.156 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.478 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 0.9 OUTLIER 71.71 114.53 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.378 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.894 -171.549 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.423 ' HD2' ' HA ' ' A' ' 54' ' ' ASN . 11.7 Cg_endo -54.84 98.8 0.06 OUTLIER 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 123.312 2.675 . . . . 0.0 113.306 -177.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.508 ' C ' ' H ' ' A' ' 58' ' ' ILE . 29.2 m -127.78 169.21 19.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.208 174.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 67.7 mtm 71.57 -21.84 0.21 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.052 0.541 . . . . 0.0 111.615 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.508 ' H ' ' C ' ' A' ' 56' ' ' VAL . 9.7 tp -62.35 -24.41 34.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.192 0.52 . . . . 0.0 110.534 177.326 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.73 -26.21 54.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.763 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.72 -29.07 68.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.818 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -52.4 -43.12 64.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.767 179.751 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.7 -17.24 13.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.415 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 63' ' ' ARG . 30.9 mmt180 -77.68 -21.29 52.3 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.29 -0.256 . . . . 0.0 110.879 178.72 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.771 ' HB3' HD11 ' A' ' 117' ' ' LEU . 8.7 mm-40 -86.96 -29.23 22.19 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 120.935 0.398 . . . . 0.0 110.798 -172.726 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -121.27 77.66 34.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.643 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -81.82 9.63 3.85 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.345 2.697 . . . . 0.0 112.201 -177.847 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -65.23 -44.79 87.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.217 176.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.448 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 4.5 m-85 -108.02 156.52 19.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.116 177.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -97.64 93.53 6.46 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 169.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.448 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 18.5 m95 -78.36 143.6 36.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.832 -170.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.558 ' OE1' ' HB ' ' A' ' 34' ' ' VAL . 28.0 mp0 -111.39 139.84 46.47 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 168.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.491 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 21.2 t -109.04 135.11 48.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.47 -177.428 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.531 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -129.18 154.57 46.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.605 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.629 HG11 HD21 ' A' ' 14' ' ' LEU . 11.7 m -125.69 147.58 30.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.468 178.534 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.36 141.25 28.65 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.724 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.532 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 3.2 t70 -57.01 152.34 13.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.288 174.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.4 mt -51.68 -43.23 62.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.778 0.323 . . . . 0.0 111.522 -176.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -78.72 -50.45 11.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.12 0.486 . . . . 0.0 110.443 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.532 ' HB2' ' HB3' ' A' ' 76' ' ' ASP . 19.2 mm-40 -62.89 -25.81 68.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.435 -175.651 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.2 t -59.04 -35.81 73.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.59 0.233 . . . . 0.0 111.406 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.02 -43.11 79.54 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.33 -39.36 81.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.212 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.9 mt -66.39 -39.32 83.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 120.757 0.313 . . . . 0.0 110.85 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.96 -43.59 97.99 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.564 176.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.13 -40.88 95.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.281 0.562 . . . . 0.0 110.75 175.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -55.54 -41.6 73.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.969 -176.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -102.28 -1.38 31.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.125 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 56.12 49.98 14.47 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.27 0.557 . . . . 0.0 110.514 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.9 p -69.99 150.56 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.59 -177.66 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -70.64 140.76 51.66 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.817 ' HA ' ' HE3' ' A' ' 1' ' ' MET . 56.6 mtt180 -58.54 164.98 2.35 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -176.239 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.465 ' HB2' ' O ' ' A' ' 91' ' ' ARG . 88.9 m-85 77.96 151.91 0.13 Allowed Pre-proline 0 N--CA 1.47 0.546 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.437 -174.487 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -45.67 121.92 4.49 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.582 2.854 . . . . 0.0 112.356 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -140.68 143.98 35.39 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 121.427 0.632 . . . . 0.0 111.419 -171.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.3 m -101.08 131.3 47.06 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.987 173.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.423 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.8 mm? -91.19 124.3 35.29 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.486 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.4 ' CG2' HD21 ' A' ' 107' ' ' LEU . 44.8 t -97.22 114.16 33.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.852 -177.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.459 ' CD2' HD12 ' A' ' 39' ' ' ILE . 50.8 m-85 -112.05 140.8 46.43 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.261 0.553 . . . . 0.0 110.846 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.577 ' HB ' HH11 ' A' ' 104' ' ' ARG . 1.3 m -153.1 148.55 27.12 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -177.25 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.41 16.02 3.86 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 123.558 0.743 . . . . 0.0 112.337 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.86 -8.97 79.05 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.579 -175.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -120.25 178.06 4.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.209 0.504 . . . . 0.0 111.675 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 37.6 tp -83.41 129.09 34.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.985 0.422 . . . . 0.0 110.965 -176.258 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.577 HH11 ' HB ' ' A' ' 99' ' ' THR . 0.2 OUTLIER -91.76 -48.96 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.674 178.245 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 175.71 -164.03 34.04 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.812 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.67 147.68 52.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.733 0.301 . . . . 0.0 110.668 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.412 HD23 ' HG3' ' A' ' 120' ' ' MET . 1.8 mm? -112.14 106.17 14.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.435 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.6 m -128.27 162.36 27.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.167 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 95.27 147.48 22.7 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.681 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 67.3 mt -85.06 110.37 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.133 0.492 . . . . 0.0 110.402 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -137.91 136.28 19.66 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.05 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.69 175.78 8.39 Favored 'Trans proline' 0 C--O 1.238 0.493 0 C-N-CA 122.823 2.349 . . . . 0.0 112.425 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 -72.75 174.34 7.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 71.67 -58.42 0.58 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.101 0.561 . . . . 0.0 110.924 -175.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.81 -32.36 74.02 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-O 121.101 0.477 . . . . 0.0 110.143 176.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.1 tt -58.12 -40.82 82.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.697 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.771 HD11 ' HB3' ' A' ' 64' ' ' GLU . 4.6 mm? -62.1 -28.94 69.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.485 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.0 m -82.73 -45.77 14.0 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.946 0.403 . . . . 0.0 110.54 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -70.21 -49.9 45.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.277 -174.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.412 ' HG3' HD23 ' A' ' 107' ' ' LEU . 28.1 ttt -72.52 -24.6 61.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 -173.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.494 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 9.6 ttt180 -68.81 -28.02 66.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.549 -178.13 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 36.2 m -61.14 -29.85 70.02 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.132 176.127 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.429 HG23 ' CG ' ' A' ' 104' ' ' ARG . 47.4 mt -80.06 -49.28 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.24 0.543 . . . . 0.0 110.559 177.705 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.2 m -91.83 35.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.17 -177.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -73.6 -54.89 7.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.094 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 35.0 p 48.95 83.96 0.21 Allowed Pre-proline 0 N--CA 1.468 0.448 0 CA-C-N 115.184 -0.916 . . . . 0.0 113.109 178.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -69.3 -23.49 32.85 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.7 2.267 . . . . 0.0 111.878 176.432 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.88 39.14 1.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.125 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -122.63 151.19 41.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.106 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -85.52 -38.64 18.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.988 -178.151 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 61.89 -139.72 0.47 Allowed 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 4.5 m 65.48 43.51 3.38 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.681 0.753 . . . . 0.0 110.404 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 26.8 m -99.31 174.8 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.475 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.7 111.64 23.96 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.319 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.4 mp -67.29 114.77 6.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.567 -178.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.428 ' HA ' ' OE1' ' A' ' 136' ' ' GLU . 5.2 mm-40 -56.32 135.89 53.56 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.35 0.595 . . . . 0.0 111.413 -179.301 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -85.85 174.62 9.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.29 -176.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -80.1 137.54 36.77 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -63.03 107.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.027 0.442 . . . . 0.0 111.011 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -92.81 100.12 12.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.51 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -133.66 146.93 51.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.89 -173.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 22.6 p80 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 117.422 -1.275 . . . . 0.0 109.403 173.069 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.0 mtp . . . . . 0 N--CA 1.476 0.847 0 CA-C-O 121.22 0.534 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.88 120.45 39.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.163 -177.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -116.51 136.34 53.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.246 -176.482 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -90.09 136.74 32.87 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 174.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.0 p 56.89 123.74 0.01 OUTLIER Pre-proline 0 N--CA 1.471 0.615 0 C-N-CA 124.251 1.021 . . . . 0.0 111.774 -170.268 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -47.18 -49.67 12.43 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.738 2.292 . . . . 0.0 112.334 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.804 ' HB3' HD22 ' A' ' 10' ' ' LEU . 3.7 t80 66.66 121.49 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.282 0 O-C-N 123.97 0.794 . . . . 0.0 111.545 175.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.9 m -58.67 -30.21 67.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.824 -174.387 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.93 -30.23 70.76 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.804 HD22 ' HB3' ' A' ' 7' ' ' PHE . 4.4 mm? -69.99 -27.18 64.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.997 0.427 . . . . 0.0 110.577 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 24.3 t-105 -85.57 -47.23 10.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.33 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -47.23 -40.41 16.32 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.672 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.716 ' HG3' HD22 ' A' ' 14' ' ' LEU . 22.7 ptt180 -55.3 -31.11 61.38 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -175.563 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.716 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.2 mm? -72.96 -41.76 64.07 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.179 0.514 . . . . 0.0 109.678 178.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.419 HD23 ' HG3' ' A' ' 21' ' ' PRO . 86.6 mt -67.75 -26.05 65.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.535 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -60.2 -38.4 83.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.868 177.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -75.52 -33.59 60.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.086 0.469 . . . . 0.0 109.973 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 141.59 -130.08 4.25 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.39 176.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.593 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 38.8 m0 67.28 154.56 0.1 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.682 0.753 . . . . 0.0 112.1 -178.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.425 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 2.1 mp0 -90.59 120.89 68.85 Favored Pre-proline 0 N--CA 1.442 -0.859 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.385 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.425 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 4.5 Cg_exo -78.56 105.77 2.02 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.54 2.16 . . . . 0.0 111.012 175.251 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.5 m -101.73 -173.63 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.953 -177.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -132.35 179.92 5.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.081 -178.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . 0.509 ' HA ' HG12 ' A' ' 83' ' ' ILE . . . -63.5 -48.64 76.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.006 0.431 . . . . 0.0 111.389 -177.676 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.4 m -88.17 -32.05 18.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.819 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 m -70.09 -26.39 63.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.844 -176.139 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 31' ' ' ILE . 11.7 p -63.61 -34.0 65.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.616 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.51 -42.29 96.11 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.316 0.579 . . . . 0.0 110.224 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.508 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 12.4 t70 -69.85 -40.48 75.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.401 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -60.81 -47.06 88.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.536 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 27' ' ' VAL . 95.8 mt -56.44 -50.63 71.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.606 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.508 ' HE3' ' HA ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -67.6 -20.17 65.33 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.946 -175.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.8 ttt85 -81.71 -48.25 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.554 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.6 m -76.29 -36.42 29.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.552 -174.611 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.18 -50.12 3.36 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 121.324 -0.465 . . . . 0.0 112.16 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -122.07 125.89 47.23 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -177.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.34 174.52 41.2 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.164 -1.017 . . . . 0.0 112.885 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.496 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 11.6 m -133.4 133.98 57.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.141 0.496 . . . . 0.0 110.782 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.419 ' N ' HD13 ' A' ' 39' ' ' ILE . 3.8 mp -103.81 125.59 58.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.013 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.498 ' HB2' HG11 ' A' ' 74' ' ' VAL . 51.8 mt -99.47 114.42 27.36 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 175.189 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.1 mt -70.42 147.72 49.18 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.495 ' HB2' ' O ' ' A' ' 75' ' ' ALA . 33.4 t -69.58 -26.94 64.71 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.73 -177.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t 61.87 -165.29 0.23 Allowed 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.55 0.531 . . . . 0.0 110.08 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.455 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 5.4 p-10 -132.65 95.54 19.87 Favored Pre-proline 0 C--N 1.317 -0.816 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 172.74 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.455 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 7.8 Cg_exo -73.71 49.37 1.82 Allowed 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 123.692 2.928 . . . . 0.0 113.895 -170.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -167.57 92.1 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.747 0.784 . . . . 0.0 111.488 172.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -128.48 -101.2 0.34 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.077 173.083 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.819 ' HB ' ' HD3' ' A' ' 49' ' ' PRO . 1.2 m -146.94 -56.64 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.819 ' HD3' ' HB ' ' A' ' 48' ' ' THR . 3.7 Cg_endo -86.95 123.96 2.09 Favored 'Trans proline' 0 C--N 1.356 0.973 0 C-N-CA 122.679 2.253 . . . . 0.0 110.674 169.715 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -91.5 97.49 11.09 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.023 0.44 . . . . 0.0 110.367 -176.079 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.2 m -112.35 144.33 20.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.282 -176.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.7 m 62.07 12.08 4.74 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.122 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.465 ' C ' ' HD3' ' A' ' 55' ' ' PRO . 6.3 t70 -86.46 53.37 2.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.371 0.605 . . . . 0.0 109.859 -178.386 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.521 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 91.4 m-20 -130.38 54.15 13.79 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.312 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.521 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 7.9 Cg_exo -72.06 -31.92 11.61 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.191 1.927 . . . . 0.0 111.606 -178.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.8 p -69.53 -20.92 24.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.777 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 78.0 mtp -95.17 7.14 47.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.391 -175.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.45 HG21 HD13 ' A' ' 40' ' ' LEU . 9.4 tp -76.67 -18.51 14.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.646 -177.739 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.51 -52.52 38.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.472 -176.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.444 ' HG3' ' HH2' ' A' ' 113' ' ' TRP . 17.2 pt-20 -68.6 -29.17 67.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.96 0.41 . . . . 0.0 110.537 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.752 HD22 HD23 ' A' ' 116' ' ' LEU . 2.4 tm? -70.33 -55.69 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.542 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.4 tp -55.91 -36.88 68.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.284 -174.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -74.5 14.35 0.48 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -176.661 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.72 -18.19 30.02 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 173.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -121.74 62.85 14.23 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.139 -176.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -84.23 43.3 1.33 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.213 1.942 . . . . 0.0 112.251 -175.098 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -82.59 -38.45 23.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.234 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.22 177.64 5.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.561 -175.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -90.38 89.98 7.84 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 173.249 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 78.5 m95 -75.64 141.2 42.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.434 0.635 . . . . 0.0 110.616 -179.478 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -126.75 136.34 52.29 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.665 178.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.593 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 17.0 t -105.25 129.41 58.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.058 0.456 . . . . 0.0 110.582 -176.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.02 151.61 46.87 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.832 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.498 HG11 ' HB2' ' A' ' 40' ' ' LEU . 14.4 m -129.44 161.74 38.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.06 178.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.495 ' O ' ' HB2' ' A' ' 42' ' ' SER . . . -132.29 165.08 25.0 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 121.186 -0.206 . . . . 0.0 110.906 -177.586 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.514 ' HB3' ' HG2' ' A' ' 79' ' ' GLN . 18.4 t70 -63.87 157.29 25.07 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.512 0.508 . . . . 0.0 110.84 -178.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.3 mp -51.13 -57.03 9.77 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -171.282 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -77.05 -40.93 44.45 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -172.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.534 ' O ' HG13 ' A' ' 83' ' ' ILE . 3.7 pt20 -65.64 -29.46 70.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.628 0.251 . . . . 0.0 111.013 -176.007 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.1 m -52.82 -33.11 47.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.757 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -69.48 -41.29 76.33 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.32 -29.24 62.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.16 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 79' ' ' GLN . 69.2 mt -63.98 -36.12 75.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.039 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.19 -33.68 86.71 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.592 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -74.77 -34.33 62.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.873 0.368 . . . . 0.0 110.182 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -56.2 -43.49 78.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.92 175.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.422 ' HB2' HG21 ' A' ' 89' ' ' VAL . 25.8 m-85 -83.49 -1.1 52.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.782 179.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.422 ' N ' HD21 ' A' ' 88' ' ' ASN . 0.9 OUTLIER 64.05 38.63 8.38 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.697 178.328 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.568 HG11 ' H ' ' A' ' 90' ' ' ARG . 10.4 t -88.36 173.03 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.113 178.624 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.574 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 53.4 mmm-85 -70.76 7.03 1.23 Allowed 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 62.92 89.04 0.09 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 122.892 0.477 . . . . 0.0 111.438 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.695 ' HE2' ' HB2' ' A' ' 108' ' ' SER . 52.2 p90 -170.71 155.44 4.77 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -59.74 118.13 4.97 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.507 2.138 . . . . 0.0 112.015 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -160.63 158.97 29.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.093 -174.513 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.4 m -89.82 131.12 35.93 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.517 175.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.496 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.4 mm? -91.35 125.39 36.09 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.013 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.7 t -99.94 112.39 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.973 -175.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.463 ' CZ ' HD12 ' A' ' 103' ' ' LEU . 34.4 m-85 -121.34 131.49 54.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.196 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 60.6 p -141.34 130.98 24.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.881 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 t70 63.4 19.36 11.64 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.359 0.599 . . . . 0.0 111.065 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.9 6.0 89.32 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.005 -177.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -107.24 142.3 37.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.825 0.345 . . . . 0.0 110.623 -177.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.463 HD12 ' CZ ' ' A' ' 98' ' ' PHE . 48.7 tp -80.02 122.48 26.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.406 178.514 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -99.9 -34.22 10.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.885 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 146.08 -166.94 27.92 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.449 176.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -110.81 158.8 18.28 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -126.22 111.89 15.12 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -176.805 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.695 ' HB2' ' HE2' ' A' ' 92' ' ' PHE . 13.2 t -124.71 127.16 46.83 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 175.874 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -80.94 109.52 2.98 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.479 -0.867 . . . . 0.0 113.064 -175.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 50.4 mm -64.75 -38.81 83.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 169.4 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -123.14 141.58 36.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.021 167.049 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -51.11 -31.31 35.17 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.129 2.553 . . . . 0.0 113.791 -178.204 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.444 ' HH2' ' HG3' ' A' ' 60' ' ' GLU . 5.3 t-105 -145.16 -165.58 2.21 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.18 -178.184 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.402 ' HB2' ' OE1' ' A' ' 115' ' ' GLU . . . 71.92 -90.02 0.02 OUTLIER 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.172 0.989 . . . . 0.0 112.092 174.653 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.402 ' OE1' ' HB2' ' A' ' 114' ' ' ALA . 1.7 pm0 -65.09 -22.35 66.94 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.633 0.254 . . . . 0.0 111.468 -176.77 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.752 HD23 HD22 ' A' ' 61' ' ' LEU . 9.5 tt -53.88 -45.3 71.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.134 175.731 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.413 HD23 ' N ' ' A' ' 117' ' ' LEU . 3.3 mm? -65.72 -42.91 90.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.319 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.7 m -59.73 -48.15 82.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.023 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -71.68 -48.89 44.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.293 -179.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.15 -39.44 82.43 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.004 -177.382 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -61.29 -36.84 81.15 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.5 t -68.94 -30.86 69.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.136 0.493 . . . . 0.0 109.955 176.843 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 48.8 mm -65.87 -38.79 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.333 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 28.2 m -99.18 20.15 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.374 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -84.4 -13.11 53.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.343 0.592 . . . . 0.0 110.342 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.67 143.35 89.69 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.512 -178.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -61.9 112.53 1.53 Allowed 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.812 2.341 . . . . 0.0 112.098 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -115.31 126.56 54.61 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.722 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -170.07 -49.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.223 -177.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -173.2 93.6 0.1 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.617 173.609 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -96.14 85.76 4.09 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 174.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 26.5 m -73.42 -30.07 62.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.471 -173.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 17.7 m -75.88 120.86 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.259 0.552 . . . . 0.0 110.591 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.7 pt20 -82.88 88.18 6.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.626 0.727 . . . . 0.0 110.751 -178.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 96.4 mt -96.92 103.85 15.82 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.721 -177.494 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.533 ' OE2' ' HA ' ' A' ' 138' ' ' HIS . 3.7 pt-20 -86.82 177.5 7.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.008 175.218 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . 0.422 ' O ' ' HB2' ' A' ' 138' ' ' HIS . 33.9 t60 -99.72 19.01 16.72 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.533 ' HA ' ' OE2' ' A' ' 136' ' ' GLU . 16.2 m-70 74.54 -28.58 0.19 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.603 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . 0.406 ' H ' ' C ' ' A' ' 137' ' ' HIS . 37.5 t-80 -70.82 107.25 3.91 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 168.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -82.81 163.63 21.09 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.422 -173.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -73.73 112.16 9.56 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 175.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 3.2 p80 . . . . . 0 C--O 1.251 1.172 0 CA-C-O 118.122 -0.942 . . . . 0.0 108.875 175.029 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtm . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.77 89.2 7.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.133 0.492 . . . . 0.0 110.553 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -87.54 8.64 24.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.238 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -146.32 132.59 19.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.661 -177.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.437 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 8.2 t -97.63 128.37 34.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 121.102 0.477 . . . . 0.0 110.374 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 5.4 Cg_exo -76.28 82.54 2.2 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 122.672 2.248 . . . . 0.0 111.97 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.1 t80 70.7 168.89 0.31 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.51 178.021 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.2 t -86.16 39.66 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.203 0.525 . . . . 0.0 109.658 177.633 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.428 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -55.7 -40.52 72.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.762 -176.011 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.442 ' O ' HD21 ' A' ' 14' ' ' LEU . 84.1 mt -55.4 -44.94 76.62 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.038 0.447 . . . . 0.0 111.244 -178.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.404 ' NE1' HD13 ' A' ' 15' ' ' LEU . 57.8 t-105 -82.9 -50.52 8.51 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.95 -177.577 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -50.82 -43.89 59.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.668 -178.239 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 35.8 ptt180 -66.04 -28.49 68.89 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.8 -174.555 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.442 HD21 ' O ' ' A' ' 10' ' ' LEU . 4.2 mm? -71.2 -38.49 72.05 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 176.188 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.404 HD13 ' NE1' ' A' ' 11' ' ' TRP . 84.4 mt -64.21 -35.53 81.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.839 174.349 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.9 m -68.37 -27.14 65.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.213 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -70.06 -26.44 64.01 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.794 0.331 . . . . 0.0 110.362 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.32 20.78 5.77 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.405 -0.903 . . . . 0.0 112.642 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 37.2 m0 -83.04 136.33 34.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.836 0.35 . . . . 0.0 110.346 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 -89.9 120.1 69.37 Favored Pre-proline 0 N--CA 1.448 -0.562 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.608 -177.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -74.56 105.4 2.05 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 122.15 1.9 . . . . 0.0 110.373 170.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.469 HG12 ' HB2' ' A' ' 73' ' ' ALA . 9.1 m -84.78 160.81 3.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.455 0.645 . . . . 0.0 111.471 -175.475 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.638 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 36.7 mt-10 -115.17 -175.59 2.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.64 -178.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.18 -50.26 6.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.906 0.384 . . . . 0.0 111.307 -175.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.4 t -76.83 -36.37 56.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.883 -173.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.4 t -105.9 19.48 20.46 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.152 -0.343 . . . . 0.0 111.859 -174.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.638 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 12.7 p -65.09 -39.26 85.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 120.674 0.273 . . . . 0.0 111.241 -179.294 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.483 ' HA ' HD12 ' A' ' 31' ' ' ILE . 4.7 p-10 -75.14 -23.52 57.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.533 0.206 . . . . 0.0 110.76 -176.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -66.59 -43.6 84.44 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -60.28 -45.19 94.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.04 176.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.483 HD12 ' HA ' ' A' ' 28' ' ' ASP . 76.2 mt -59.23 -43.43 89.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.822 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.641 ' HB3' ' HZ3' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -66.04 -32.08 73.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.181 0.515 . . . . 0.0 110.234 178.749 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.35 -45.61 38.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.906 -175.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.6 m -86.13 -31.59 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.965 0.412 . . . . 0.0 111.684 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.55 -54.65 4.84 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 121.127 -0.559 . . . . 0.0 111.926 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -126.26 129.11 48.27 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.673 0.273 . . . . 0.0 110.267 -176.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.95 176.0 42.89 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.336 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.2 m -132.06 144.14 38.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.739 0.304 . . . . 0.0 111.189 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.3 mp -110.64 126.48 67.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.83 176.379 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.527 ' HB2' HG13 ' A' ' 74' ' ' VAL . 80.4 mt -96.88 129.7 44.28 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.691 177.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.44 ' HB2' ' HB3' ' A' ' 93' ' ' PRO . 92.5 mt -96.74 160.87 14.14 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 174.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.1 t -61.23 101.32 0.16 Allowed 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.88 ' HA ' ' HG2' ' A' ' 93' ' ' PRO . 19.3 m -77.1 -27.93 54.27 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -170.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.456 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 11.9 p-10 -89.46 118.34 68.98 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 121.02 0.438 . . . . 0.0 110.419 -178.56 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.456 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 7.2 Cg_exo -73.59 -65.09 0.03 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.936 2.424 . . . . 0.0 111.715 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -109.55 -44.92 3.78 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 176.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 48' ' ' THR . 7.7 tpt180 -148.63 161.07 42.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.935 -1.03 . . . . 0.0 108.575 174.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.407 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 16.9 p -52.97 109.29 1.39 Allowed Pre-proline 0 CA--C 1.535 0.392 0 O-C-N 123.586 0.554 . . . . 0.0 111.299 176.391 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -88.46 103.64 0.45 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.98 2.453 . . . . 0.0 114.022 -172.338 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 60.91 -96.81 0.06 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.863 175.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.9 m -147.36 21.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.37 -178.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.2 t -98.38 23.93 7.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.348 0.594 . . . . 0.0 110.133 -175.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 7.2 p-10 -141.63 -150.56 0.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.27 -175.309 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.445 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 54.5 m-80 78.7 108.49 0.03 OUTLIER Pre-proline 0 N--CA 1.472 0.651 0 C-N-CA 124.093 0.957 . . . . 0.0 111.598 -177.536 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 54' ' ' ASN . 6.1 Cg_exo -80.75 -9.29 13.31 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 123.293 2.662 . . . . 0.0 111.871 176.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.414 ' O ' ' HB2' ' A' ' 57' ' ' MET . 34.4 m -79.25 156.67 4.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.323 177.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.448 ' HA ' ' OE1' ' A' ' 60' ' ' GLU . 87.8 mtp 71.4 6.5 5.78 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.281 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.478 HD11 HD12 ' A' ' 61' ' ' LEU . 9.3 tp -76.84 -16.13 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.057 0.456 . . . . 0.0 109.845 176.951 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.53 -53.51 11.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.87 -178.447 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.594 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 1.5 pm0 -64.93 -30.45 71.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.096 0.475 . . . . 0.0 110.302 176.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.624 HD22 HD22 ' A' ' 116' ' ' LEU . 7.1 tt -64.28 -55.09 23.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.705 175.24 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.3 tp -60.05 -39.32 85.53 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.921 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.594 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 5.3 ptp180 -75.14 15.13 0.45 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.886 0.374 . . . . 0.0 111.656 -176.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.46 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 38.1 mm-40 -74.64 -12.27 60.4 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 172.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -114.64 80.64 6.45 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.485 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.46 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 5.9 Cg_exo -74.41 -6.96 19.08 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.817 2.344 . . . . 0.0 111.603 178.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -54.8 -48.53 72.64 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.64 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.471 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 5.6 m-85 -108.71 -174.35 2.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.881 178.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -127.72 106.25 9.01 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 173.05 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.471 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 11.2 m95 -96.27 151.31 19.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.175 -170.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -111.23 157.89 19.59 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 170.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.4 t -109.87 119.23 58.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.856 0.36 . . . . 0.0 110.418 -178.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.469 ' HB2' HG12 ' A' ' 22' ' ' VAL . . . -115.95 148.27 40.25 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.199 178.11 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.527 HG13 ' HB2' ' A' ' 40' ' ' LEU . 16.9 m -131.58 149.52 33.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 120.939 0.399 . . . . 0.0 111.212 -178.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.426 ' C ' ' H ' ' A' ' 77' ' ' LEU . . . -82.59 149.12 27.63 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 171.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.513 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 13.6 p-10 -81.26 30.6 0.34 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.746 0.307 . . . . 0.0 110.644 -177.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.513 ' HB2' ' O ' ' A' ' 76' ' ' ASP . 10.4 mp 73.82 -47.59 0.65 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.596 0.759 . . . . 0.0 110.59 -174.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -67.6 -51.26 52.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.504 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 0.7 OUTLIER -56.26 -23.38 35.81 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -177.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.424 ' HA ' HD22 ' A' ' 41' ' ' LEU . 8.4 m -49.66 -43.9 47.35 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -172.662 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.23 -45.74 83.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.131 0.491 . . . . 0.0 110.469 -178.615 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.61 -44.9 73.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.98 -39.2 82.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.5 -51.73 56.07 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.619 -0.801 . . . . 0.0 111.939 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -67.17 -33.65 75.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.888 0.375 . . . . 0.0 110.78 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -57.87 -34.65 69.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.067 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -106.68 13.98 27.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.815 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 64.23 31.98 12.71 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.156 175.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.78 HG12 ' H ' ' A' ' 90' ' ' ARG . 2.4 t -91.65 -158.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 175.661 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.78 ' H ' HG12 ' A' ' 89' ' ' VAL . 43.8 ttt180 -162.53 -175.03 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -173.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.675 ' H ' ' HG2' ' A' ' 90' ' ' ARG . 7.5 tpp180 -56.52 157.13 5.4 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 175.714 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.452 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 97.5 m-85 70.54 96.63 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.391 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 -170.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.88 ' HG2' ' HA ' ' A' ' 43' ' ' SER . 8.2 Cg_exo -72.85 -175.69 2.01 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 123.862 3.041 . . . . 0.0 114.42 -167.361 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -171.75 162.63 6.28 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 114.56 -1.2 . . . . 0.0 109.472 -174.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.6 m -83.39 128.35 34.44 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 171.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.95 123.74 34.67 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.692 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.1 t -98.53 108.16 21.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.143 -176.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -111.35 130.82 55.56 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.925 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.07 141.14 27.3 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.125 -178.2 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.7 t70 63.1 21.54 12.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.54 0.686 . . . . 0.0 110.778 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.54 9.54 82.11 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.207 -176.289 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -123.64 157.1 34.56 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.807 0.336 . . . . 0.0 110.876 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 63.9 tp -76.2 129.24 36.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.274 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.47 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -99.38 -42.09 7.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.481 176.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 169.29 -173.55 43.68 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.404 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -125.8 147.32 49.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.87 105.07 8.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.832 0.349 . . . . 0.0 110.164 -176.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.7 t -97.08 166.34 11.64 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.63 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -71.42 76.48 0.63 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.3 -0.476 . . . . 0.0 113.425 -175.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.496 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 13.4 pt -86.7 83.09 2.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.09 0.472 . . . . 0.0 110.175 174.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.496 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 58.3 m80 72.14 148.94 0.12 Allowed Pre-proline 0 N--CA 1.465 0.297 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.528 -172.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -62.11 107.55 0.57 Allowed 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.149 1.899 . . . . 0.0 111.901 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 20.7 t-105 65.33 -121.3 0.39 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 50.67 -89.08 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 172.453 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -77.45 -19.55 55.84 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.843 -171.612 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.624 HD22 HD22 ' A' ' 61' ' ' LEU . 8.5 tt -54.59 -42.88 71.6 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.15 178.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.515 HD12 ' HE2' ' A' ' 120' ' ' MET . 3.3 mm? -57.75 -46.16 84.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.961 177.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.7 m -63.25 -51.37 66.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.225 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.0 -50.06 65.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.961 -174.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.515 ' HE2' HD12 ' A' ' 117' ' ' LEU . 24.5 ptt? -64.5 -34.05 77.33 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.631 -176.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -73.8 -37.17 65.01 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 120.71 0.29 . . . . 0.0 111.43 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.0 t -64.81 -30.61 71.63 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.991 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 61.7 mt -73.98 -42.26 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.846 0.355 . . . . 0.0 110.81 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 34.8 m -84.89 11.94 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.044 0.45 . . . . 0.0 111.314 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.01 -25.05 66.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.392 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 68.2 p 61.61 152.32 0.1 Allowed Pre-proline 0 N--CA 1.476 0.863 0 C-N-CA 124.413 1.085 . . . . 0.0 112.461 -178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 9.5 Cg_exo -71.73 93.69 0.7 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.846 2.364 . . . . 0.0 113.056 -177.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -110.86 -25.01 10.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.193 0.521 . . . . 0.0 110.032 173.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -101.26 166.12 10.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.185 176.083 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -67.03 122.76 18.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.179 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 68.18 119.67 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.91 0.862 . . . . 0.0 113.137 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 3.4 p -102.78 42.24 1.17 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.929 174.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 27.4 m -59.95 146.76 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.365 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -128.77 -61.6 1.05 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.276 -175.066 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 68.32 155.14 0.11 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.061 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 73.95 -44.08 0.56 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.499 175.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -83.81 132.46 34.82 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 172.073 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -64.27 139.02 58.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.366 0.603 . . . . 0.0 112.47 -171.297 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -121.8 -78.32 0.6 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.977 171.673 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 56.76 -161.08 0.21 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.135 0.493 . . . . 0.0 110.493 -178.203 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -124.12 -51.32 1.78 Allowed 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 168.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 . . . . . 0 C--O 1.245 0.865 0 CA-C-N 114.744 -1.116 . . . . 0.0 108.519 168.388 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.7 ttm . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 121.038 0.447 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.82 -8.88 0.21 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.886 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 58.1 t30 69.26 -70.72 0.13 Allowed 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.431 0.692 . . . . 0.0 110.634 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.7 t70 47.78 76.97 0.1 Allowed 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.754 0.659 . . . . 0.0 112.098 176.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.454 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 17.0 p -135.58 135.02 21.38 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.736 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.544 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 6.3 Cg_exo -78.84 95.34 1.07 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.922 2.415 . . . . 0.0 111.187 174.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -67.12 -39.1 86.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.715 -176.608 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.456 ' HG ' HD13 ' A' ' 77' ' ' LEU . 68.1 p -141.35 167.71 21.51 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.495 179.719 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.48 -46.73 87.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.784 178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.429 ' HG ' HG22 ' A' ' 48' ' ' THR . 3.2 tm? -59.26 -44.59 92.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.915 178.403 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.544 ' HD1' ' HA ' ' A' ' 6' ' ' PRO . 57.9 t-105 -56.95 -50.31 73.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.823 177.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -58.08 -37.41 74.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.296 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.725 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 5.3 mmp_? -69.92 -29.14 66.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.737 -0.211 . . . . 0.0 111.369 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.8 mt -68.5 -40.51 80.86 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 174.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.8 mt -62.96 -27.44 69.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.49 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.0 m -62.09 -43.55 98.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.611 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -70.15 -32.96 71.18 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 132.37 -135.01 7.89 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.388 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.754 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 34.3 m0 71.39 155.64 0.15 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.681 0.753 . . . . 0.0 112.653 176.33 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -87.83 116.98 67.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.238 -175.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_exo -71.93 114.31 3.93 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.678 2.252 . . . . 0.0 111.465 175.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.1 m -116.61 164.95 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.001 0.429 . . . . 0.0 111.519 -177.644 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -120.03 176.88 5.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.617 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.17 -32.45 72.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.096 0.474 . . . . 0.0 110.756 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 p -93.94 -3.53 51.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.21 -176.219 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.4 p -125.21 -9.3 7.03 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.504 ' O ' HG13 ' A' ' 31' ' ' ILE . 7.9 p -64.53 -42.38 95.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -175.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -76.17 -31.66 58.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.698 0.285 . . . . 0.0 110.448 -176.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -63.67 -39.43 94.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.449 0.642 . . . . 0.0 109.62 175.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -64.25 -49.68 70.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.451 175.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.504 HG13 ' O ' ' A' ' 27' ' ' VAL . 93.9 mt -58.47 -41.37 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.991 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.486 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -55.48 -36.54 66.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.722 179.457 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.6 ttt85 -80.21 -47.2 15.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.048 0.451 . . . . 0.0 111.098 -176.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.403 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 34.9 m -71.55 -41.84 72.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.521 -177.07 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.23 -57.59 5.03 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -121.52 106.79 11.72 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -175.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.6 177.78 39.36 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.903 -177.193 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.502 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 10.3 m -132.87 140.69 46.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.014 0.435 . . . . 0.0 111.151 -178.751 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.3 mp -116.24 133.12 63.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.135 -179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.507 HD23 HG12 ' A' ' 58' ' ' ILE . 65.2 mt -96.97 128.79 44.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.032 175.683 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.4 mt -81.22 169.93 16.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.528 178.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.856 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -48.56 -47.57 39.39 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 123.867 0.729 . . . . 0.0 110.934 179.318 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.437 ' CB ' ' HB3' ' A' ' 93' ' ' PRO . 20.8 m 64.86 22.02 12.44 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.679 174.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.458 ' OD1' HD21 ' A' ' 77' ' ' LEU . 2.6 p-10 -143.75 165.9 22.32 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.316 -177.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.4 ' HD2' ' HB2' ' A' ' 44' ' ' ASP . 73.8 Cg_endo -79.83 -33.04 1.3 Allowed 'Trans proline' 0 CA--C 1.535 0.542 0 C-N-CA 122.422 2.081 . . . . 0.0 112.959 176.369 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 175.55 -35.29 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -143.09 136.06 27.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.69 -1.141 . . . . 0.0 108.531 172.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.429 HG22 ' HG ' ' A' ' 10' ' ' LEU . 3.4 t -127.42 84.97 62.0 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-O 121.64 0.733 . . . . 0.0 110.734 175.704 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -90.23 -3.42 5.27 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.988 2.459 . . . . 0.0 111.947 176.56 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -98.8 134.66 41.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.197 -177.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.4 71.1 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.397 0.618 . . . . 0.0 110.199 178.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.4 p -92.46 -51.56 5.07 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.537 175.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -144.81 147.27 32.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.195 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.429 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 18.9 p-10 -151.21 129.96 6.26 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 121.054 0.454 . . . . 0.0 111.094 -174.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 54' ' ' ASN . 7.6 Cg_exo -72.58 84.73 1.18 Allowed 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 123.22 2.614 . . . . 0.0 112.817 -178.438 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 50.6 t -120.92 -37.87 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.777 174.762 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -66.49 -12.54 57.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.6 -175.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.507 HG12 HD23 ' A' ' 40' ' ' LEU . 2.0 mp -59.59 -30.87 45.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.52 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.53 -39.26 93.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.049 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.575 ' OE1' ' HD2' ' A' ' 63' ' ' ARG . 4.3 tp10 -68.9 -34.88 76.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.224 0.535 . . . . 0.0 110.01 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -67.56 -51.01 55.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.061 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.474 ' HG ' ' HB2' ' A' ' 70' ' ' TRP . 6.8 tt -55.02 -46.94 75.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.151 -178.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.575 ' HD2' ' OE1' ' A' ' 60' ' ' GLU . 7.0 ptp180 -73.58 -8.63 56.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.53 -175.103 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.67 ' HG2' ' HE1' ' A' ' 120' ' ' MET . 13.8 tp10 -82.93 -14.8 53.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.04 0.448 . . . . 0.0 110.344 -178.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -112.17 83.5 5.12 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.484 ' HG3' ' HE1' ' A' ' 141' ' ' HIS . 96.7 Cg_endo -83.98 44.63 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.049 2.499 . . . . 0.0 112.98 -172.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -127.81 -46.22 1.42 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.335 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.528 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 13.5 m-85 -92.23 143.2 26.66 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 174.753 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -91.34 91.5 8.18 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 169.063 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.528 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 30.4 m95 -75.88 138.39 41.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.182 0.515 . . . . 0.0 111.077 -173.51 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.403 ' OE1' ' HB ' ' A' ' 34' ' ' VAL . 25.4 mp0 -103.11 130.76 50.37 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 170.057 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.754 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 17.8 t -100.3 123.79 53.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -110.31 156.17 21.09 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.342 179.141 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.0 m -120.06 133.84 65.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.036 0.446 . . . . 0.0 110.67 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.404 ' HB2' HD13 ' A' ' 83' ' ' ILE . . . -99.9 133.75 43.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.409 178.435 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -59.73 153.85 19.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.044 178.036 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.856 ' HA ' ' HB2' ' A' ' 42' ' ' SER . 21.7 mt -56.15 -50.69 70.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.987 -177.081 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -72.41 -40.37 67.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.466 -178.192 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -62.33 -28.24 69.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.693 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.524 ' CB ' ' HB3' ' A' ' 42' ' ' SER . 57.8 m -62.9 -21.38 65.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.715 -179.02 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -58.38 -52.25 66.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.018 0.437 . . . . 0.0 110.396 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.46 -41.36 39.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.892 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.404 HD13 ' HB2' ' A' ' 75' ' ' ALA . 75.6 mt -63.2 -48.21 88.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.606 -177.315 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.29 -39.36 97.1 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.178 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -68.21 -39.39 82.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.161 0.505 . . . . 0.0 110.46 178.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -61.82 -33.19 73.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.338 -177.59 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -99.04 5.01 47.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.625 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 65.35 27.91 11.88 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.72 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.58 HG22 HD12 ' A' ' 96' ' ' LEU . 5.9 t -93.6 1.67 9.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.917 0.865 . . . . 0.0 108.785 175.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.426 ' HD2' ' N ' ' A' ' 90' ' ' ARG . 1.3 mpt_? 66.07 -87.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.396 -1.275 . . . . 0.0 110.951 179.172 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 91' ' ' ARG . 41.1 ttm105 -167.3 29.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.491 0.662 . . . . 0.0 109.554 -177.323 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -107.48 142.17 24.57 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.647 -178.399 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.437 ' HB3' ' CB ' ' A' ' 43' ' ' SER . 9.7 Cg_endo -55.14 120.3 7.96 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 123.004 2.47 . . . . 0.0 112.425 177.257 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -163.08 145.92 10.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.356 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.7 m -85.44 131.64 34.35 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.58 HD12 HG22 ' A' ' 89' ' ' VAL . 3.7 mm? -90.48 124.33 34.9 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.945 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.1 t -97.87 110.35 25.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.918 -178.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -114.13 136.13 53.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.332 0.587 . . . . 0.0 111.361 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.8 m -151.54 146.86 26.18 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 176.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 65.08 14.89 9.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.486 0.491 . . . . 0.0 110.411 -173.127 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 70.48 17.53 74.64 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.031 -172.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -127.02 154.18 44.97 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.662 0.268 . . . . 0.0 110.322 -175.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 61.5 tp -72.69 120.03 17.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.058 0.456 . . . . 0.0 111.087 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.74 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -93.4 -49.51 5.89 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.933 178.222 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 178.05 -170.53 42.78 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.63 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -123.81 146.64 48.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.968 0.414 . . . . 0.0 110.606 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.68 93.6 4.51 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.393 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.6 m -86.43 -15.73 39.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.936 -177.542 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -88.35 110.66 3.67 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.755 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 56.4 mt -108.96 -29.65 2.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.22 0.533 . . . . 0.0 110.313 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.565 ' H ' ' HD2' ' A' ' 112' ' ' PRO . 17.7 m170 -101.14 -48.6 0.19 Allowed Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -175.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.565 ' HD2' ' H ' ' A' ' 111' ' ' HIS . 29.4 Cg_endo -64.39 97.61 0.26 Allowed 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 121.869 1.713 . . . . 0.0 112.257 178.842 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.41 ' O ' ' HB2' ' A' ' 114' ' ' ALA . 6.0 t-105 -117.53 115.87 26.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.799 -176.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 113' ' ' TRP . . . 166.95 -65.0 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.305 1.003 . . . . 0.0 108.557 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -79.44 -17.7 53.72 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.707 177.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.442 HD23 ' O ' ' A' ' 116' ' ' LEU . 6.1 tt -57.4 -33.67 68.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.603 175.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.641 ' HA ' ' HE3' ' A' ' 120' ' ' MET . 87.0 mt -55.38 -48.09 74.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.785 179.488 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.9 m -69.0 -39.34 79.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.385 0.612 . . . . 0.0 110.845 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 119' ' ' LEU . 0.9 OUTLIER -68.88 -49.73 55.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.739 -175.071 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.67 ' HE1' ' HG2' ' A' ' 64' ' ' GLU . 27.1 ptt? -59.97 -36.32 76.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.224 -0.443 . . . . 0.0 112.012 -175.798 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -67.66 -35.69 79.34 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.017 0.437 . . . . 0.0 111.333 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.7 m -65.08 -30.21 71.15 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.186 176.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 67.4 mt -74.72 -46.43 41.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.009 0.433 . . . . 0.0 110.618 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.4 m -84.64 33.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.234 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.95 -27.44 62.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.005 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 15.3 t -61.8 140.21 95.45 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.094 -178.394 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -79.35 178.0 7.92 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 122.456 2.104 . . . . 0.0 111.295 175.089 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -161.85 -166.26 1.42 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 178.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.9 95.12 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 175.432 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.7 tm0? -79.2 102.57 8.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.202 0.525 . . . . 0.0 110.161 -175.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -99.75 110.36 22.75 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 172.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 11.8 m -69.29 -27.76 65.69 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.323 -177.647 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . 0.572 HG11 ' H ' ' A' ' 135' ' ' LEU . 41.2 t 70.07 126.59 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.793 178.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -80.56 -10.66 59.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.791 -175.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.572 ' H ' HG11 ' A' ' 133' ' ' VAL . 41.2 tp -115.87 148.53 39.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.242 -178.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -76.63 165.03 25.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.969 0.414 . . . . 0.0 110.996 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -90.21 15.74 9.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.847 177.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 78.5 t60 70.09 6.67 5.87 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.994 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -158.08 139.6 13.65 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -106.38 162.38 13.74 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . 0.484 ' HE1' ' HG3' ' A' ' 66' ' ' PRO . 29.9 p80 -164.47 45.42 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.253 0.549 . . . . 0.0 110.516 173.4 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 . . . . . 0 C--O 1.245 0.856 0 CA-C-O 118.535 -0.745 . . . . 0.0 109.605 178.479 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 ttm . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.841 0.353 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.84 125.43 47.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.621 0.248 . . . . 0.0 110.592 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -70.31 -65.12 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.089 0.471 . . . . 0.0 109.789 177.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . 0.404 ' HB2' ' H ' ' A' ' 5' ' ' THR . 0.8 OUTLIER -119.07 -76.3 0.58 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 173.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.404 ' H ' ' HB2' ' A' ' 4' ' ' ASP . 5.0 p -143.67 126.19 8.64 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 114.638 -1.165 . . . . 0.0 109.073 175.744 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.97 -32.71 95.43 Favored 'Trans proline' 0 CA--C 1.528 0.194 0 C-N-CA 122.626 2.217 . . . . 0.0 112.831 -177.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -124.05 146.26 48.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.83 -176.649 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.3 p -63.12 -32.39 73.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.201 -178.346 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.24 -30.89 66.88 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.84 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.456 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 82.0 mt -70.94 -37.89 72.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.084 0.469 . . . . 0.0 110.545 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 44.4 t-105 -76.14 -45.35 34.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.121 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -46.64 -35.82 6.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.61 176.397 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.457 ' HG2' HD21 ' A' ' 14' ' ' LEU . 16.1 ptt180 -60.98 -31.9 71.48 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.09 -176.795 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.457 HD21 ' HG2' ' A' ' 13' ' ' ARG . 2.8 mm? -73.65 -40.53 63.66 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.052 0.453 . . . . 0.0 110.154 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.8 mt -63.96 -40.95 97.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.04 178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.4 m -66.52 -26.11 67.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.227 -179.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 24.6 ttt180 -78.09 -5.64 52.16 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.982 -176.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.95 16.72 7.2 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.883 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.41 ' CH2' ' HA ' ' A' ' 56' ' ' VAL . 49.7 m0 -99.43 133.26 44.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.94 0.37 . . . . 0.0 110.776 177.397 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.421 HE21 ' HB2' ' A' ' 20' ' ' GLN . 1.8 mp0 -92.12 122.97 64.01 Favored Pre-proline 0 N--CA 1.448 -0.565 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.738 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 72.5 Cg_endo -79.3 103.65 1.65 Allowed 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.374 2.049 . . . . 0.0 111.133 174.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.4 m -92.36 176.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.39 0.614 . . . . 0.0 112.077 -172.811 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.523 ' HB2' HG22 ' A' ' 26' ' ' THR . 43.0 mt-10 -113.47 175.0 5.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.472 -179.305 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.11 -18.52 57.89 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.029 0.442 . . . . 0.0 110.805 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 p -89.14 -52.98 4.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.418 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.523 HG22 ' HB2' ' A' ' 23' ' ' GLU . 13.0 t -71.68 -23.17 61.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.89 -174.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.6 p -62.67 -35.05 68.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -174.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -65.25 -50.73 64.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.023 0.44 . . . . 0.0 110.534 -176.659 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.48 -37.45 80.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.652 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -56.14 -49.28 74.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.681 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.4 mt -63.88 -42.43 95.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -59.91 -38.64 82.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.311 0.577 . . . . 0.0 109.864 177.281 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 11.0 ttt180 -69.59 -47.49 63.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.546 -176.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.6 m -80.05 -39.87 19.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.468 -176.469 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.22 -50.82 4.04 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.995 -0.622 . . . . 0.0 111.929 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -117.87 131.29 56.56 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.33 177.73 40.7 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.117 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.7 m -134.84 133.25 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.983 0.42 . . . . 0.0 110.955 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.427 HD11 ' N ' ' A' ' 39' ' ' ILE . 3.4 mp -109.31 128.22 65.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.566 178.474 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.522 ' HB2' HG13 ' A' ' 74' ' ' VAL . 4.3 mm? -104.47 131.12 52.22 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.252 178.679 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.585 ' HB2' ' HB2' ' A' ' 93' ' ' PRO . 56.8 mt -91.34 164.3 13.9 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.8 t -58.67 -83.48 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -172.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.9 p -157.75 -174.29 4.78 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.046 -0.409 . . . . 0.0 111.318 -176.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -138.95 93.8 10.31 Favored Pre-proline 0 C--O 1.234 0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.624 175.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -93.98 41.88 0.21 Allowed 'Trans proline' 0 N--CA 1.449 -1.099 0 C-N-CA 122.7 2.267 . . . . 0.0 111.861 177.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -129.26 -38.85 1.56 Allowed 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 178.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 9.1 tpt180 -74.79 -23.38 58.49 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 174.159 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.6 m 47.0 65.34 7.09 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 114.761 -1.109 . . . . 0.0 112.149 177.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -71.24 -32.81 12.29 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.32 2.013 . . . . 0.0 111.498 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 65.47 129.4 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.04 -172.53 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.5 t 56.44 67.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -169.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 p -71.91 153.7 41.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.221 -175.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.31 108.29 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.13 177.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -83.21 118.41 71.54 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.652 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -72.82 12.58 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 123.151 2.567 . . . . 0.0 113.743 -174.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.41 ' HA ' ' CH2' ' A' ' 19' ' ' TRP . 9.4 p -68.29 -21.53 26.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.321 0.581 . . . . 0.0 110.679 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.522 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 2.2 mpt? -83.85 1.8 41.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.85 177.302 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.406 HG13 HD11 ' A' ' 62' ' ' LEU . 10.0 tp -63.7 -21.48 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.147 0.498 . . . . 0.0 110.885 -176.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.553 ' O ' ' HG3' ' A' ' 63' ' ' ARG . . . -61.0 -43.2 99.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.726 -177.511 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.522 ' HG2' ' O ' ' A' ' 57' ' ' MET . 16.2 pt-20 -70.94 -30.06 66.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.756 0.312 . . . . 0.0 110.74 -176.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.425 HD23 ' HA ' ' A' ' 61' ' ' LEU . 1.4 tm? -65.74 -49.39 68.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.313 0.578 . . . . 0.0 109.812 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.406 HD11 HG13 ' A' ' 58' ' ' ILE . 9.2 mp -61.46 -22.59 65.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.589 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.553 ' HG3' ' O ' ' A' ' 59' ' ' ALA . 75.3 mtp180 -71.24 -11.8 61.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.423 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -88.27 -8.08 55.76 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 120.941 0.4 . . . . 0.0 110.207 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -126.85 65.19 61.95 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.18 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -77.44 7.13 3.94 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.586 2.191 . . . . 0.0 112.719 -173.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -68.83 -44.45 73.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.11 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.585 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 8.9 m-85 -96.23 162.31 13.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.232 -175.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -96.35 83.76 3.61 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.585 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 63.0 m95 -70.51 139.89 51.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.068 -175.599 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -130.29 124.27 31.99 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.436 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.8 t -96.13 127.3 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.226 -174.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.02 149.54 48.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.689 176.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.522 HG13 ' HB2' ' A' ' 40' ' ' LEU . 26.0 m -129.09 164.61 31.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.766 0.317 . . . . 0.0 111.062 -176.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.513 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -123.41 130.02 52.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.12 177.777 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.485 ' HB3' HD11 ' A' ' 77' ' ' LEU . 5.9 m-20 -61.08 -82.02 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 O-C-N 123.407 0.442 . . . . 0.0 112.005 -176.635 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.485 HD11 ' HB3' ' A' ' 76' ' ' ASP . 5.9 mp -132.4 -78.98 0.5 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.582 -178.446 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -61.06 -32.1 71.75 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.341 -177.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.513 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 22.4 mp0 -56.92 -38.87 73.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.513 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' SER . . . . . 0.483 ' HA ' HD23 ' A' ' 41' ' ' LEU . 49.6 m -61.85 -36.94 82.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.821 0.344 . . . . 0.0 110.73 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.25 -41.82 84.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.198 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.31 -45.64 25.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.531 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.0 mt -64.66 -43.05 96.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.784 -178.45 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.4 -52.07 53.9 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.858 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.27 -31.11 71.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.704 0.287 . . . . 0.0 110.838 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -54.82 -40.02 69.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.744 176.458 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -99.54 2.84 45.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.906 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . 0.476 ' N ' HD21 ' A' ' 88' ' ' ASN . 0.9 OUTLIER 68.46 24.16 7.23 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.961 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.663 HG23 HD12 ' A' ' 96' ' ' LEU . 99.8 t -92.67 102.82 14.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.073 175.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -127.93 -12.59 5.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.237 -174.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 99.5 mtt180 -105.12 98.41 8.12 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.418 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 71.1 m-85 70.52 121.77 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.33 0 O-C-N 123.931 0.769 . . . . 0.0 110.834 -172.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.585 ' HB2' ' HB2' ' A' ' 41' ' ' LEU . 12.3 Cg_endo -56.48 -82.6 0.01 OUTLIER 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 123.093 2.529 . . . . 0.0 112.451 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 78.69 178.17 0.13 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.414 0.626 . . . . 0.0 112.09 166.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.521 ' HG1' HD11 ' A' ' 40' ' ' LEU . 4.7 m -84.37 125.31 32.19 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.882 177.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.663 HD12 HG23 ' A' ' 89' ' ' VAL . 3.3 mm? -90.85 123.75 34.63 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 175.087 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . 0.645 HG11 HG21 ' A' ' 123' ' ' ILE . 38.5 t -99.86 109.37 24.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.79 -174.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -110.83 131.4 55.08 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.848 177.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.06 131.39 14.63 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.464 178.55 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.5 t70 65.02 20.12 12.02 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.822 0.82 . . . . 0.0 110.203 -177.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.4 7.49 78.46 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.606 -0.806 . . . . 0.0 111.968 -174.217 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -98.57 144.06 28.29 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 46.6 tp -93.26 109.94 21.46 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -81.46 -30.31 33.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.145 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 141.32 -172.85 23.65 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.996 177.063 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.422 ' HA ' ' O ' ' A' ' 95' ' ' THR . . . -98.76 172.67 7.31 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 177.391 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -120.54 92.11 3.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.057 0.456 . . . . 0.0 109.842 -178.097 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.1 m -99.52 101.0 12.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.447 -178.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -75.18 101.71 1.38 Allowed Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.002 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.7 pt -75.92 -9.82 12.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.08 0.467 . . . . 0.0 110.781 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.405 ' HB2' ' HG2' ' A' ' 115' ' ' GLU . 33.8 m80 -144.88 142.44 18.71 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 173.112 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.75 113.16 1.12 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.098 2.532 . . . . 0.0 112.651 -177.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 62.28 -93.15 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.221 -176.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 24.44 -79.17 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 171.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.405 ' HG2' ' HB2' ' A' ' 111' ' ' HIS . 1.7 mm-40 -61.37 -24.3 66.39 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.675 -171.582 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -55.52 -38.07 68.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.893 -176.473 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.94 -46.11 71.44 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 111.223 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.7 m -75.64 -42.68 50.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.717 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -62.31 -49.16 76.72 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.017 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -61.13 -37.08 81.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.404 -174.144 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -69.34 -37.61 77.76 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 120.874 0.369 . . . . 0.0 111.177 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.6 t -65.99 -29.37 69.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.173 0.511 . . . . 0.0 110.157 177.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.645 HG21 HG11 ' A' ' 97' ' ' VAL . 78.7 mt -74.83 -47.3 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.173 178.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 35.1 m -86.61 25.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.014 0.435 . . . . 0.0 111.72 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -63.2 -27.2 69.2 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.678 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 35.7 m -55.55 119.29 23.64 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.024 178.035 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.86 -26.28 67.39 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.891 2.394 . . . . 0.0 112.364 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 69.31 -65.81 0.28 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.453 0.701 . . . . 0.0 111.05 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.18 123.56 24.71 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 176.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 64.34 82.12 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.988 0.805 . . . . 0.0 109.786 -172.104 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.78 102.9 14.7 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.124 -179.228 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.8 m -65.71 -61.83 1.85 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.467 -175.196 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.7 p -172.55 130.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.267 0.556 . . . . 0.0 111.061 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -132.61 131.23 41.21 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.801 175.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 77.9 mt -88.3 -46.86 8.85 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.829 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.486 ' HA ' ' OE1' ' A' ' 136' ' ' GLU . 2.5 tp10 41.63 77.8 0.05 Allowed 'General case' 0 C--O 1.235 0.328 0 O-C-N 124.467 1.104 . . . . 0.0 111.147 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -63.24 108.41 1.28 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.221 -175.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 21.3 p-80 -63.9 128.54 36.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.805 175.253 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -80.11 -55.37 4.98 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.131 -176.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.66 155.18 40.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.058 0.456 . . . . 0.0 111.173 -172.058 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -92.22 135.12 34.26 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.139 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.196 -0.907 . . . . 0.0 109.874 178.474 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.1 mmm . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.528 -0.175 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.31 108.78 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.957 0.786 . . . . 0.0 112.388 175.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 66.91 19.64 10.61 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.183 174.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -87.45 160.56 18.25 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 175.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.7 m 69.32 87.43 0.11 Allowed Pre-proline 0 C--N 1.328 -0.33 0 O-C-N 123.738 0.649 . . . . 0.0 110.201 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -88.99 -162.18 0.12 Allowed 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.031 2.488 . . . . 0.0 112.57 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -83.32 -89.15 0.09 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.293 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.8 m 56.58 -161.08 0.2 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.236 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.34 -28.25 68.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.309 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.0 tp -52.31 -51.33 59.27 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.421 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.419 ' NE1' HD13 ' A' ' 15' ' ' LEU . 48.0 t-105 -82.26 -46.65 13.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.781 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -52.28 -34.4 46.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.549 -178.215 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.512 ' O ' HG22 ' A' ' 16' ' ' THR . 1.2 ppt_? -63.94 -26.38 68.57 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -176.591 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.25 -30.77 60.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.087 0.47 . . . . 0.0 110.265 175.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.419 HD13 ' NE1' ' A' ' 11' ' ' TRP . 81.6 mt -74.97 -25.82 59.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.975 -175.051 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.512 HG22 ' O ' ' A' ' 13' ' ' ARG . 7.2 t -57.05 -24.92 57.37 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.183 -174.205 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -71.54 -6.9 44.09 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.1 0.476 . . . . 0.0 111.528 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.95 17.02 11.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.53 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 48.4 m0 -88.71 135.93 33.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.784 0.326 . . . . 0.0 110.38 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -99.09 122.73 51.45 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.911 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -76.28 115.23 4.06 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.308 2.006 . . . . 0.0 111.364 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.6 m -101.45 163.48 3.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 -177.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.53 ' HB2' HG21 ' A' ' 26' ' ' THR . 35.6 mt-10 -96.88 -174.87 3.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.14 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.55 -21.72 44.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.214 0.53 . . . . 0.0 110.449 176.536 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 p -94.87 -59.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.331 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.53 HG21 ' HB2' ' A' ' 23' ' ' GLU . 13.6 t -67.04 -14.51 62.97 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.95 -173.814 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.465 HG12 HG12 ' A' ' 83' ' ' ILE . 11.4 p -62.81 -38.7 82.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.033 -178.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -69.02 -43.02 75.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.383 0.611 . . . . 0.0 109.878 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.67 -40.34 88.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.554 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -57.15 -51.54 68.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.481 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.501 ' HA ' HG23 ' A' ' 34' ' ' VAL . 94.7 mt -61.41 -41.77 91.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.82 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -60.84 -31.96 71.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.628 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.465 ' HD3' ' C ' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -80.85 -45.88 16.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -178.835 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.501 HG23 ' HA ' ' A' ' 31' ' ' ILE . 21.3 m -79.45 -39.36 20.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.151 -174.146 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.56 -48.6 3.22 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.362 -0.447 . . . . 0.0 113.002 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -119.88 125.88 49.56 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 122.328 0.251 . . . . 0.0 110.714 -175.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.535 ' HA2' ' HB3' ' A' ' 70' ' ' TRP . . . 163.83 175.11 34.41 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.98 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.0 m -130.89 141.34 46.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.79 0.329 . . . . 0.0 110.405 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.4 mp -110.65 126.19 67.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.223 -179.268 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.562 HD22 HD11 ' A' ' 58' ' ' ILE . 78.6 mt -97.73 122.41 40.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.396 177.331 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.4 mt -87.31 160.0 18.57 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 174.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.8 t -61.06 133.65 56.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.822 0.344 . . . . 0.0 110.08 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 8.3 t -71.52 -37.88 71.16 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.419 ' C ' ' H ' ' A' ' 46' ' ' ARG . 31.0 m-20 61.77 169.29 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.38 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.273 178.001 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.592 ' HA ' HG22 ' A' ' 51' ' ' VAL . 5.3 Cg_exo -80.17 42.43 1.32 Allowed 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 122.186 1.924 . . . . 0.0 109.159 162.706 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.419 ' H ' ' C ' ' A' ' 44' ' ' ASP . 0.4 OUTLIER -79.03 -42.83 25.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.129 -172.834 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.4 ' O ' ' HB ' ' A' ' 48' ' ' THR . 23.1 ptt180 -140.38 143.86 35.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.868 -177.365 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.4 ' HB ' ' O ' ' A' ' 47' ' ' ARG . 91.6 m 72.16 120.95 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.289 0 O-C-N 123.747 0.655 . . . . 0.0 111.695 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.503 ' O ' ' HB3' ' A' ' 50' ' ' GLU . 30.2 Cg_endo -63.69 163.59 24.03 Favored 'Trans proline' 0 C--O 1.237 0.437 0 C-N-CA 122.481 2.121 . . . . 0.0 111.589 175.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.503 ' HB3' ' O ' ' A' ' 49' ' ' PRO . 24.1 tt0 77.64 -56.53 0.51 Allowed 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.798 0.686 . . . . 0.0 110.757 -179.155 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.592 HG22 ' HA ' ' A' ' 45' ' ' PRO . 34.3 t 62.18 83.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.473 0.654 . . . . 0.0 111.594 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 52.8 m -118.42 25.28 10.4 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.28 174.064 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.433 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 38.0 t70 -77.19 101.07 6.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.452 -178.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -105.66 100.66 28.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.325 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.433 ' HD3' ' O ' ' A' ' 53' ' ' ASP . 4.5 Cg_exo -78.13 43.36 1.38 Allowed 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 123.207 2.605 . . . . 0.0 111.913 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 p -98.56 -17.63 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.47 0.652 . . . . 0.0 110.014 -178.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.59 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 85.5 mtp -87.72 -4.28 58.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.655 -178.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.562 HD11 HD22 ' A' ' 40' ' ' LEU . 15.1 tt -68.56 -13.32 16.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.338 0.589 . . . . 0.0 110.31 178.25 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . 0.599 ' O ' ' HG3' ' A' ' 63' ' ' ARG . . . -58.09 -46.91 84.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.874 177.352 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.59 ' HG2' ' O ' ' A' ' 57' ' ' MET . 12.6 pt-20 -68.94 -28.87 67.03 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.721 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.659 HD21 HD23 ' A' ' 116' ' ' LEU . 2.1 tm? -58.48 -51.27 70.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.754 175.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.414 ' HA ' HD13 ' A' ' 62' ' ' LEU . 4.2 mm? -63.59 -22.37 66.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.519 178.625 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.599 ' HG3' ' O ' ' A' ' 59' ' ' ALA . 43.4 mtp180 -77.3 -0.93 27.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.704 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . 0.482 ' HG3' HD12 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -80.1 -18.37 50.12 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 175.551 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -126.2 58.52 25.59 Favored Pre-proline 0 N--CA 1.453 -0.32 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.798 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -81.19 42.23 1.3 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.208 1.938 . . . . 0.0 111.461 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -97.21 -45.37 6.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.062 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.501 ' HD2' ' NE1' ' A' ' 70' ' ' TRP . 25.8 m-85 -88.57 -35.13 17.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.242 174.202 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.6 t70 57.82 89.91 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.229 -170.35 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.535 ' HB3' ' HA2' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -89.91 158.25 17.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.018 -163.714 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -97.03 123.43 40.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.693 0.283 . . . . 0.0 110.45 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.2 t -96.17 127.63 48.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.737 0.303 . . . . 0.0 110.72 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.89 153.86 37.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.267 177.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.533 HG13 ' HB2' ' A' ' 40' ' ' LEU . 27.3 m -129.31 165.54 29.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.08 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.39 136.93 54.99 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . 0.414 ' HB2' ' OE1' ' A' ' 79' ' ' GLN . 5.4 m-20 -64.41 -87.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.322 0.389 . . . . 0.0 111.701 -175.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp -130.38 -81.84 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.253 -0.279 . . . . 0.0 111.182 -178.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -59.3 -31.18 68.89 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.218 0.532 . . . . 0.0 110.807 -178.279 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.466 ' CG ' ' HA ' ' A' ' 23' ' ' GLU . 24.1 mp0 -54.19 -50.4 67.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.63 178.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.1 m -54.19 -43.67 70.91 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.528 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -60.45 -44.62 95.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.793 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.29 -32.77 55.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.549 -177.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.465 HG12 HG12 ' A' ' 27' ' ' VAL . 68.9 mt -66.7 -41.86 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.109 -178.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.96 -36.09 92.34 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.563 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -67.32 -44.99 77.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.341 . . . . 0.0 110.201 176.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -57.04 -42.59 80.76 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.545 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . 0.652 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 22.6 m-30 -86.28 -6.76 58.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.312 -176.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 61.48 37.64 16.42 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.19 0.519 . . . . 0.0 110.699 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.6 p -99.18 4.64 10.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.708 0.766 . . . . 0.0 109.449 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.649 ' HG2' ' H ' ' A' ' 91' ' ' ARG . 59.8 ttt180 70.24 176.65 0.28 Allowed 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.785 -176.11 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.649 ' H ' ' HG2' ' A' ' 90' ' ' ARG . 74.8 mtp180 -89.6 73.67 7.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.982 0.42 . . . . 0.0 111.117 -174.394 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -142.11 150.07 54.41 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.219 177.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -70.02 114.56 3.78 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.405 2.07 . . . . 0.0 111.823 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . 0.499 ' HB3' ' HB1' ' A' ' 106' ' ' ALA . . . -150.49 148.32 28.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.339 -177.857 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.8 m -86.96 120.67 28.47 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 175.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.652 ' HG ' ' CD2' ' A' ' 87' ' ' PHE . 3.7 mm? -91.99 124.73 36.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.958 0.408 . . . . 0.0 110.227 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.6 t -99.55 117.26 44.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.798 -176.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -116.85 132.51 56.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.048 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.1 p -133.87 121.8 22.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.227 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.2 t70 58.75 21.63 9.14 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.527 0.517 . . . . 0.0 111.674 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.71 -9.66 73.3 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.774 -176.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -94.24 144.19 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.06 0.43 . . . . 0.0 110.129 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.418 ' HB3' ' HG3' ' A' ' 131' ' ' GLU . 65.6 tp -89.13 130.05 35.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.8 0.333 . . . . 0.0 110.271 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.656 ' NE ' ' HA ' ' A' ' 104' ' ' ARG . 2.3 mmp_? -92.42 -27.45 17.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.051 0.453 . . . . 0.0 110.392 176.762 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 131.2 -162.17 23.6 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.982 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.499 ' HB1' ' HB3' ' A' ' 94' ' ' ALA . . . -99.35 152.01 20.43 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -108.75 105.1 14.54 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -178.402 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.5 m -146.11 102.51 3.63 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.885 177.703 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -103.35 -110.1 3.42 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.707 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.5 mp -110.47 -83.65 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -170.24 -50.32 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.292 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -75.64 -170.07 0.77 Allowed 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.075 1.85 . . . . 0.0 112.793 176.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.42 ' NE1' HD22 ' A' ' 117' ' ' LEU . 7.3 t-105 -85.75 -135.19 0.06 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.994 -176.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.41 -86.41 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 173.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -79.59 -11.97 59.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -168.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.659 HD23 HD21 ' A' ' 61' ' ' LEU . 7.3 tt -59.02 -38.76 80.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.061 178.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.482 HD12 ' HG3' ' A' ' 64' ' ' GLU . 3.3 mm? -59.82 -51.0 71.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.361 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.1 m -58.94 -47.27 85.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.304 -178.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.96 -49.79 59.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.377 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 27.2 ttt -67.43 -45.17 76.87 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -175.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.473 ' HA ' HG22 ' A' ' 124' ' ' VAL . 54.2 mtt-85 -64.26 -36.45 84.15 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 111.353 -176.727 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.7 t -60.04 -35.09 74.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.724 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.502 HG21 ' HB3' ' A' ' 104' ' ' ARG . 71.8 mt -78.58 -37.6 21.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.185 -178.054 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.473 HG22 ' HA ' ' A' ' 121' ' ' ARG . 35.1 m -89.08 9.27 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 111.6 -177.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -68.51 -34.26 75.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.079 0.466 . . . . 0.0 110.618 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 4.2 t -130.35 124.58 21.27 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.662 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -81.61 -18.65 7.98 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.524 2.149 . . . . 0.0 111.779 175.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.4 109.35 19.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.763 -176.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -151.9 -172.0 4.1 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.881 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -91.13 16.09 10.44 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -176.676 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.418 ' HG3' ' HB3' ' A' ' 103' ' ' LEU . 8.8 tp10 -110.65 100.71 9.44 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 174.234 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 11.7 t -131.42 160.98 33.51 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.76 -174.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 58.7 t -126.2 130.87 72.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -67.69 132.56 47.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.744 0.307 . . . . 0.0 110.234 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -71.34 97.25 1.56 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.237 0.542 . . . . 0.0 111.202 -174.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . 0.463 ' HG3' ' H ' ' A' ' 138' ' ' HIS . 10.1 tp10 -95.66 134.12 38.93 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.957 177.292 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -71.47 -25.63 62.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.906 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . 0.463 ' H ' ' HG3' ' A' ' 136' ' ' GLU . 66.6 m-70 62.18 81.98 0.19 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.346 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 45.9 m80 72.9 139.86 0.06 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.246 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -71.01 -35.58 72.1 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.415 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.15 100.61 10.85 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 173.207 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.267 -0.873 . . . . 0.0 111.089 -173.501 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 pmm? . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 120.637 0.256 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.2 121.94 26.22 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.064 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -135.07 -50.57 0.76 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.864 -176.469 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.9 t70 61.78 102.93 0.03 OUTLIER 'General case' 0 C--O 1.233 0.206 0 O-C-N 124.082 0.864 . . . . 0.0 110.389 -172.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 m 68.03 69.24 0.47 Allowed Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.738 -178.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -72.5 -37.81 3.91 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.807 2.338 . . . . 0.0 112.541 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -144.32 160.79 40.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.48 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.6 m -123.72 157.69 33.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.083 -176.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.537 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -64.85 -54.76 25.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.65 -178.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.505 HD11 ' N ' ' A' ' 11' ' ' TRP . 4.1 pp -60.24 -27.75 67.47 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.001 0.429 . . . . 0.0 111.082 -178.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.505 ' N ' HD11 ' A' ' 10' ' ' LEU . 43.0 t-105 -66.72 -52.31 45.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.839 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -61.28 -28.0 68.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.736 177.652 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.537 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 22.4 mmt180 -59.37 -43.66 92.83 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.053 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.1 mt -65.42 -47.08 77.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.565 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.425 HD23 ' HG3' ' A' ' 21' ' ' PRO . 84.8 mt -59.74 -39.99 86.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.734 179.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.6 m -67.63 -26.79 66.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.851 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 ttp85 -77.3 -43.75 32.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.96 0.409 . . . . 0.0 110.123 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.5 -148.63 20.03 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.866 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.597 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 33.5 m0 68.97 154.28 0.11 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.491 0.662 . . . . 0.0 112.246 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -91.19 123.85 63.18 Favored Pre-proline 0 N--CA 1.45 -0.461 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.76 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.425 ' HG3' HD23 ' A' ' 15' ' ' LEU . 5.1 Cg_exo -79.05 111.53 2.94 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.827 2.351 . . . . 0.0 111.302 175.759 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.2 m -105.72 156.1 6.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.192 0.52 . . . . 0.0 111.616 -176.417 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.62 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 33.8 mt-10 -105.54 -178.83 3.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.464 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.29 -9.67 59.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.195 0.521 . . . . 0.0 110.046 174.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.8 t -99.67 -59.13 1.78 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.008 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.2 t -82.64 6.31 18.2 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -173.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.62 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.5 p -63.38 -51.59 68.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -175.096 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -74.54 -17.85 60.68 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 122.207 -0.308 . . . . 0.0 111.239 -178.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . 0.582 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 32.8 t70 -75.28 -37.06 61.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.257 0.551 . . . . 0.0 109.668 175.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -66.48 -47.53 72.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.748 174.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 27' ' ' VAL . 94.7 mt -58.42 -44.32 88.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.864 -178.672 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.582 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -62.75 -27.47 69.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -177.074 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -81.5 -46.27 14.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.246 0.546 . . . . 0.0 111.049 -176.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.561 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 35.4 m -78.07 -40.43 26.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.298 -177.218 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.57 -57.81 5.01 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 111.85 -0.5 . . . . 0.0 111.85 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.405 ' O ' ' HA ' ' A' ' 70' ' ' TRP . 46.5 m-20 -113.27 107.88 16.5 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -177.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.97 167.08 35.86 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 119.707 -1.235 . . . . 0.0 112.874 -175.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . 0.496 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 7.9 m -132.76 127.98 56.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.031 0.443 . . . . 0.0 110.632 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.568 ' HB ' ' HB2' ' A' ' 96' ' ' LEU . 4.1 mp -96.83 116.02 37.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.873 178.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.451 HD23 HG22 ' A' ' 95' ' ' THR . 53.7 mt -83.51 118.44 23.78 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 174.848 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.7 mt -68.31 164.19 21.3 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.9 t -55.98 -22.56 27.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.784 -176.026 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.666 ' HA ' ' HB3' ' A' ' 93' ' ' PRO . 19.9 m 59.81 34.13 21.8 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.006 0.431 . . . . 0.0 110.806 177.137 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.45 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 9.5 t70 -53.14 129.04 49.5 Favored Pre-proline 0 C--O 1.235 0.328 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.666 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.45 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 1.4 Cg_endo -80.61 65.88 8.87 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 122.896 2.397 . . . . 0.0 112.503 -177.75 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.79 -49.81 74.85 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 175.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -104.01 132.85 49.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.003 175.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 m 57.24 75.62 0.55 Allowed Pre-proline 0 CA--C 1.537 0.468 0 CA-C-O 121.409 0.623 . . . . 0.0 111.456 -178.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -86.65 53.58 2.94 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 123.76 2.973 . . . . 0.0 111.896 178.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -90.23 -61.94 1.57 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.018 -178.228 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.413 ' O ' ' HB3' ' A' ' 52' ' ' SER . 44.2 t -78.17 -25.8 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.403 -177.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.419 ' O ' ' HG3' ' A' ' 45' ' ' PRO . 33.0 t 71.53 -80.93 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.271 179.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -130.81 115.88 17.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.179 0.514 . . . . 0.0 111.045 -174.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -154.39 75.48 5.82 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.169 175.302 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -96.17 15.34 0.92 Allowed 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 123.286 2.657 . . . . 0.0 112.163 177.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.459 ' O ' ' HB2' ' A' ' 57' ' ' MET . 26.7 m -85.79 166.75 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.774 177.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.459 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 24.2 mmt 72.67 -3.07 2.46 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.627 0.579 . . . . 0.0 111.848 -178.542 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.9 tp -80.66 -16.28 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.209 0.528 . . . . 0.0 110.055 175.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.19 -28.4 66.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.716 -173.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.481 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 0.1 OUTLIER -71.28 -29.17 64.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.706 0.288 . . . . 0.0 111.304 -177.22 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.571 HD21 ' CH2' ' A' ' 113' ' ' TRP . 2.9 tm? -53.86 -48.27 70.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.837 0.827 . . . . 0.0 109.907 176.669 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -58.7 -33.98 70.8 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.391 -1.277 . . . . 0.0 112.207 -178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.481 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 10.7 ptp180 -89.7 15.62 9.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.056 0.455 . . . . 0.0 111.304 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.35 -8.21 53.68 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 169.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -124.1 78.3 59.37 Favored Pre-proline 0 N--CA 1.452 -0.332 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.709 -178.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -81.31 41.33 1.12 Allowed 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.156 1.904 . . . . 0.0 111.254 178.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -110.12 -24.41 10.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.433 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . 0.468 ' CE1' ' HA ' ' A' ' 127' ' ' PRO . 1.9 m-85 -119.49 -179.67 3.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.729 173.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -125.64 93.66 3.91 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 170.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . 0.448 ' CZ2' ' CD2' ' A' ' 68' ' ' PHE . 19.1 m95 -79.91 139.39 37.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.019 -168.201 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . 0.561 ' OE1' ' HB ' ' A' ' 34' ' ' VAL . 27.6 mp0 -111.48 128.19 55.93 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.031 169.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.597 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 22.5 t -99.5 134.9 37.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 120.898 0.38 . . . . 0.0 110.412 -178.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.75 161.57 27.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.823 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.7 m -134.53 165.61 30.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.618 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.93 148.55 43.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.041 -178.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.65 174.27 1.06 Allowed 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.545 0.528 . . . . 0.0 111.501 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.7 mt -57.42 -40.87 79.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.061 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -77.29 -48.14 18.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.613 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -61.18 -32.07 71.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.336 -175.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.4 p -65.92 -34.43 78.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -176.657 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -73.97 -41.88 61.31 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.015 176.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.62 -46.1 91.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.898 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.2 mt -67.5 -35.77 74.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.411 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.8 -35.93 90.95 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.001 -0.618 . . . . 0.0 111.843 175.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -76.77 -37.34 56.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.098 0.475 . . . . 0.0 110.546 177.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -54.61 -42.54 71.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.641 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -102.1 -0.92 32.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.662 0.268 . . . . 0.0 110.91 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 58.32 54.73 5.48 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.448 0.642 . . . . 0.0 110.802 -178.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.8 t -76.25 -15.09 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.739 -177.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.43 ' O ' ' HB2' ' A' ' 91' ' ' ARG . 14.5 tpp85 72.15 21.79 3.83 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.332 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.43 ' HB2' ' O ' ' A' ' 90' ' ' ARG . 86.6 mtt180 72.01 -168.1 0.14 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.959 177.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.411 ' H ' ' HB3' ' A' ' 91' ' ' ARG . 97.5 m-85 73.32 145.34 0.11 Allowed Pre-proline 0 N--CA 1.468 0.453 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.111 -176.223 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.666 ' HB3' ' HA ' ' A' ' 43' ' ' SER . 28.7 Cg_endo -63.21 124.85 14.59 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.647 2.231 . . . . 0.0 112.61 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -162.01 153.47 18.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.16 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.461 ' CG2' ' HB ' ' A' ' 38' ' ' VAL . 15.9 m -90.85 134.05 34.75 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.344 174.448 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.568 ' HB2' ' HB ' ' A' ' 39' ' ' ILE . 3.8 mm? -90.46 124.14 34.73 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.535 177.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 42.3 t -99.03 116.01 41.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.474 -174.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -120.74 136.13 54.96 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.779 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.2 p -140.15 133.47 29.85 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.16 14.37 2.0 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.811 0.844 . . . . 0.0 112.433 -179.116 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.75 -8.08 68.18 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.285 -177.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -97.57 144.8 26.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.997 0.427 . . . . 0.0 111.76 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.4 tp -76.57 131.14 38.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.377 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.532 ' HB3' ' CG2' ' A' ' 123' ' ' ILE . 1.9 mmp_? -100.27 -34.85 9.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.697 176.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 150.6 -161.28 28.93 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.52 -0.847 . . . . 0.0 112.295 178.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -117.97 138.15 52.37 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.419 ' HB3' ' HB ' ' A' ' 95' ' ' THR . 44.4 tp -93.11 80.79 4.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.142 0.496 . . . . 0.0 110.047 -176.414 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.2 p -108.2 64.23 0.62 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.535 175.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -75.3 113.29 3.9 Favored Glycine 0 N--CA 1.444 -0.791 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.463 -177.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 55.4 mt -82.59 -27.07 8.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.494 0.664 . . . . 0.0 109.591 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.692 ' HB3' ' HG3' ' A' ' 115' ' ' GLU . 17.3 m170 -85.47 126.65 66.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.733 174.601 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 111' ' ' HIS . 17.0 Cg_exo -69.01 -166.25 0.16 Allowed 'Trans proline' 0 C--O 1.238 0.505 0 C-N-CA 123.574 2.849 . . . . 0.0 113.818 -174.768 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.571 ' CH2' HD21 ' A' ' 61' ' ' LEU . 9.9 t-105 -70.21 99.84 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.154 -174.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 164.05 -28.65 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 -175.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.692 ' HG3' ' HB3' ' A' ' 111' ' ' HIS . 9.4 mm-40 -110.22 -32.55 6.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 113.793 -1.549 . . . . 0.0 110.404 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.3 tt -57.9 -38.44 75.84 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.168 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 89.0 mt -54.44 -54.91 34.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.008 -178.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 48.1 m -65.2 -43.33 91.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.203 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -61.4 -49.74 75.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.456 -177.038 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' MET . . . . . 0.484 ' O ' HG22 ' A' ' 124' ' ' VAL . 14.5 tpt -64.48 -46.87 81.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.094 -178.257 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -64.03 -30.34 71.42 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.052 0.453 . . . . 0.0 111.303 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.1 t -59.47 -31.03 68.96 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.877 175.076 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.532 ' CG2' ' HB3' ' A' ' 104' ' ' ARG . 50.0 mt -91.49 -48.79 13.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.265 -177.514 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.484 HG22 ' O ' ' A' ' 120' ' ' MET . 28.4 m -89.37 35.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.089 0.471 . . . . 0.0 111.378 -177.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -56.85 -40.46 76.15 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.072 -176.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.9 t -94.0 122.98 60.68 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 121.015 0.436 . . . . 0.0 111.285 -178.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.468 ' HA ' ' CE1' ' A' ' 68' ' ' PHE . 87.0 Cg_endo -80.2 172.06 14.27 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.822 2.348 . . . . 0.0 112.463 178.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.36 -31.56 58.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.943 176.519 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -149.37 -91.41 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.775 175.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . 0.408 HE21 ' HB2' ' A' ' 130' ' ' GLN . 0.7 OUTLIER -136.49 -88.26 0.3 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 173.598 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . 0.403 ' H ' ' HB2' ' A' ' 130' ' ' GLN . 16.7 mp0 -127.6 115.95 19.58 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 171.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 24.9 m -71.45 -45.58 62.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.197 -176.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.3 p -111.81 116.18 51.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.312 0.577 . . . . 0.0 110.796 -176.659 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -88.11 -32.19 18.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.454 -175.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.753 ' H ' HD21 ' A' ' 135' ' ' LEU . 2.0 pt? -84.34 9.11 13.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.959 0.409 . . . . 0.0 111.403 -175.574 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -123.45 83.19 2.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.269 0.557 . . . . 0.0 109.885 176.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -141.54 21.91 2.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.691 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -103.96 162.02 13.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.48 -178.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -127.01 156.27 41.89 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.816 0.341 . . . . 0.0 110.466 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -107.0 173.28 6.39 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -103.12 -59.55 1.69 Allowed 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 176.72 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 37.9 t60 . . . . . 0 C--O 1.25 1.129 0 CA-C-O 117.537 -1.221 . . . . 0.0 107.782 175.211 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.559 ' H3 ' ' CD ' ' A' ' 23' ' ' GLU . 61.2 mtt . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.06 87.23 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.785 0.326 . . . . 0.0 111.149 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -169.24 116.33 0.61 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.352 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -137.44 151.77 48.87 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 173.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.5 p 65.78 157.69 0.13 Allowed Pre-proline 0 N--CA 1.475 0.818 0 C-N-CA 124.299 1.04 . . . . 0.0 111.139 -173.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -78.69 5.72 5.4 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.777 2.318 . . . . 0.0 112.255 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 49.73 55.74 8.93 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 123.425 0.453 . . . . 0.0 111.445 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.3 t 65.38 -160.02 0.28 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.469 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.9 -34.41 39.06 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.548 0.203 . . . . 0.0 111.548 -176.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 6.3 tt -52.93 -51.58 60.84 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 123.408 0.442 . . . . 0.0 111.595 -174.515 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.1 t-105 -74.31 -48.23 29.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.716 0.293 . . . . 0.0 110.786 -178.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -47.22 -44.3 22.38 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.79 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -59.8 -38.39 81.81 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.723 0.297 . . . . 0.0 111.582 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.614 HD11 HG11 ' A' ' 74' ' ' VAL . 53.9 mt -66.4 -41.01 89.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.922 0.392 . . . . 0.0 110.142 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.28 -34.65 76.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.709 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.1 m -61.36 -27.44 68.52 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.467 -177.316 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -88.4 4.37 46.56 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.765 0.316 . . . . 0.0 111.634 -177.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.61 25.26 47.27 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.887 -0.673 . . . . 0.0 113.24 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' TRP . . . . . 0.448 ' HE3' HG23 ' A' ' 74' ' ' VAL . 53.3 m0 -84.94 141.74 30.15 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.11 0.481 . . . . 0.0 111.148 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -89.22 136.14 30.56 Favored Pre-proline 0 N--CA 1.447 -0.599 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.872 -177.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 73.3 Cg_endo -82.97 118.43 2.71 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.399 2.066 . . . . 0.0 111.637 173.757 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.457 HG12 ' HB3' ' A' ' 73' ' ' ALA . 12.9 m -104.45 155.35 6.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.898 0.38 . . . . 0.0 111.105 -178.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . 0.563 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 49.5 mt-10 -125.23 172.38 9.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.662 -177.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.58 -23.9 63.61 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -173.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.1 t -94.35 -14.12 25.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.713 0.292 . . . . 0.0 111.653 -176.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.505 HG22 ' HB2' ' A' ' 23' ' ' GLU . 8.4 t -121.08 -8.36 9.31 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.555 -0.458 . . . . 0.0 111.896 -176.162 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.501 ' O ' HG13 ' A' ' 31' ' ' ILE . 7.7 p -59.11 -46.02 92.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 121.282 -0.167 . . . . 0.0 111.4 -176.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -70.46 -30.36 67.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 0.0 110.607 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -73.95 -36.73 64.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.181 0.515 . . . . 0.0 110.209 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -65.95 -44.04 86.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.932 175.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 27' ' ' VAL . 87.9 mt -59.4 -40.41 81.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.27 176.263 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -61.15 -31.24 70.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.787 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . 0.427 HH11 ' HD3' ' A' ' 33' ' ' ARG . 2.2 tmm_? -79.89 -44.51 20.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -176.783 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.2 m -85.91 -41.59 15.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.182 -175.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.456 ' HA2' ' HA2' ' A' ' 101' ' ' GLY . . . 82.37 -52.51 4.67 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.727 -176.4 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -126.11 133.66 51.57 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.825 0.345 . . . . 0.0 110.093 -176.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.4 -171.68 40.74 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.067 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.3 m -136.06 137.19 48.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.232 0.539 . . . . 0.0 111.356 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.433 HD13 ' CD2' ' A' ' 98' ' ' PHE . 2.5 mp -106.32 125.35 62.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.224 175.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.501 HD13 ' HA ' ' A' ' 55' ' ' PRO . 71.6 mt -98.1 123.48 42.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.49 -178.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.63 159.91 25.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.98 0.419 . . . . 0.0 110.787 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.6 t -64.69 134.89 55.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.341 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.432 ' OG ' ' HD3' ' A' ' 55' ' ' PRO . 19.7 m -99.4 19.53 15.41 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -178.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.546 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 33.9 t70 -58.15 -52.67 72.86 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.338 177.717 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' PRO . . . . . 0.546 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 87.4 Cg_endo -82.36 52.58 4.17 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.998 1.799 . . . . 0.0 112.376 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.43 ' HD2' HD22 ' A' ' 54' ' ' ASN . 68.1 ttt180 -77.08 98.78 5.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.15 0.5 . . . . 0.0 111.359 -177.656 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -118.69 24.02 11.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.624 0.726 . . . . 0.0 109.072 171.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' THR . . . . . 0.444 HG21 ' CG2' ' A' ' 51' ' ' VAL . 2.2 m -111.46 108.94 56.4 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.471 -175.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 48' ' ' THR . 55.7 Cg_endo -98.54 131.8 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 123.482 2.788 . . . . 0.0 114.986 -174.846 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 58.56 41.16 22.85 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.067 -0.97 . . . . 0.0 113.617 167.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' VAL . . . . . 0.458 ' HB ' ' O ' ' A' ' 109' ' ' GLY . 21.2 m -136.7 -170.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 173.72 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.9 m -80.55 85.15 6.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.688 0.28 . . . . 0.0 110.937 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.518 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 1.2 p-10 -137.41 -177.78 4.93 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.387 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.518 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 1.0 OUTLIER 75.23 157.48 0.16 Allowed Pre-proline 0 N--CA 1.473 0.724 0 O-C-N 123.704 0.628 . . . . 0.0 111.114 -175.325 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.501 ' HA ' HD13 ' A' ' 40' ' ' LEU . 6.8 Cg_exo -75.43 -18.87 17.49 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.768 2.312 . . . . 0.0 112.032 177.743 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.48 HG22 ' HB3' ' A' ' 54' ' ' ASN . 27.6 m -79.22 159.79 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.661 -179.393 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' MET . . . . . 0.422 ' HB3' ' O ' ' A' ' 56' ' ' VAL . 56.8 ttp 81.47 -13.27 0.91 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.888 0.875 . . . . 0.0 110.62 -179.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.474 HG12 HD23 ' A' ' 40' ' ' LEU . 1.7 mp -71.28 -31.15 42.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.46 176.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.73 -55.27 32.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.866 0.365 . . . . 0.0 111.042 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.715 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 1.6 pm0 -63.45 -29.08 70.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.645 177.219 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.436 HD23 ' CD2' ' A' ' 116' ' ' LEU . 2.1 tm? -58.41 -45.15 88.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.323 0.582 . . . . 0.0 110.909 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.454 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 90.9 mt -48.94 -32.15 8.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.819 -1.082 . . . . 0.0 113.676 -174.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.715 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 14.7 ptt180 -74.39 -0.95 18.93 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -175.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.33 -30.52 33.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -118.3 88.31 32.59 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.225 -174.667 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -88.08 42.87 0.76 Allowed 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.697 2.265 . . . . 0.0 111.12 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -85.39 -41.56 15.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.098 -177.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.02 -178.73 7.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.632 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -88.7 107.2 18.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.766 0.317 . . . . 0.0 110.538 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -82.95 139.08 33.55 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.289 0.566 . . . . 0.0 110.596 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -121.88 139.94 53.02 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.153 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.5 t -112.86 132.17 62.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.981 0.42 . . . . 0.0 110.958 -173.578 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.457 ' HB3' HG12 ' A' ' 22' ' ' VAL . . . -133.86 146.6 50.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.99 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' VAL . . . . . 0.614 HG11 HD11 ' A' ' 14' ' ' LEU . 10.2 t -131.55 160.18 42.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.893 0.378 . . . . 0.0 110.886 -174.52 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.487 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . . . -121.35 143.07 49.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.732 174.531 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.22 -65.95 0.63 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 111.469 -176.353 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.585 HD11 ' N ' ' A' ' 78' ' ' GLU . 1.5 pp -165.74 -32.54 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.222 177.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLU . . . . . 0.585 ' N ' HD11 ' A' ' 77' ' ' LEU . 8.8 tp10 -67.22 -53.09 33.34 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.481 0.657 . . . . 0.0 110.619 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.563 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 10.0 mp0 -72.68 -37.36 67.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.432 -174.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.2 p -61.14 -37.0 81.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.333 -178.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -61.92 -42.29 98.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.223 0.535 . . . . 0.0 109.992 177.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.29 -49.31 28.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.011 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.36 -47.15 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.908 -176.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.29 -45.82 95.41 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.118 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -71.34 -32.04 68.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.934 0.397 . . . . 0.0 110.715 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -60.38 -49.06 79.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.097 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -87.25 -0.46 56.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.131 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 10.0 m120 64.32 27.78 13.76 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.134 175.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.408 HG23 HD12 ' A' ' 96' ' ' LEU . 47.2 t -87.89 78.38 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.132 0.492 . . . . 0.0 111.736 -172.728 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 51.92 -151.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.999 172.52 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ARG . . . . . 0.494 ' HD3' ' HA ' ' A' ' 91' ' ' ARG . 11.5 mmt180 -143.92 35.1 1.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.782 0.325 . . . . 0.0 111.353 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' PHE . . . . . 0.514 ' HB2' ' HD2' ' A' ' 93' ' ' PRO . 54.6 p90 -138.42 159.7 66.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.833 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . 0.514 ' HD2' ' HB2' ' A' ' 92' ' ' PHE . 11.7 Cg_endo -55.21 126.21 21.78 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.034 2.489 . . . . 0.0 112.651 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -152.01 136.25 16.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.203 -177.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.463 HG22 HD21 ' A' ' 40' ' ' LEU . 49.4 m -79.0 130.07 35.13 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 174.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.408 HD12 HG23 ' A' ' 89' ' ' VAL . 3.3 mm? -91.52 124.42 35.67 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.087 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 28.9 t -97.72 105.87 17.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.324 -176.503 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' PHE . . . . . 0.51 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 30.7 m-85 -106.16 132.0 52.74 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.779 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 p -155.28 148.23 24.53 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.204 -178.329 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.7 t70 66.14 19.75 11.13 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.366 0.603 . . . . 0.0 109.928 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . 0.456 ' HA2' ' HA2' ' A' ' 35' ' ' GLY . . . 77.41 4.46 84.36 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.544 -176.16 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -128.71 166.21 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.035 0.445 . . . . 0.0 111.289 -173.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.51 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 65.6 tp -91.01 133.52 35.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.155 178.389 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -102.14 -32.26 10.2 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.858 0.361 . . . . 0.0 110.679 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 159.63 -171.81 36.11 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.989 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -107.53 156.43 19.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.711 0.291 . . . . 0.0 110.272 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.499 HD12 ' HG ' ' A' ' 116' ' ' LEU . 31.3 tp -94.5 84.84 4.39 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.216 0.531 . . . . 0.0 110.743 -177.693 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.0 m -96.15 76.88 3.06 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 171.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.458 ' O ' ' HB ' ' A' ' 51' ' ' VAL . . . -85.68 115.22 4.13 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.796 -173.218 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ILE . . . . . 0.459 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 19.9 pt -73.64 138.55 21.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 173.647 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . 0.459 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 94.9 m-70 73.05 145.43 0.11 Allowed Pre-proline 0 N--CA 1.469 0.492 0 O-C-N 123.842 0.714 . . . . 0.0 109.994 -171.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -54.16 -50.09 14.79 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.978 2.452 . . . . 0.0 112.164 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -151.46 116.24 5.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.232 176.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 174.62 -75.55 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.149 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -70.42 -25.31 63.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.866 -177.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' LEU . . . . . 0.499 ' HG ' HD12 ' A' ' 107' ' ' LEU . 6.8 tt -50.25 -42.11 51.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.036 176.558 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.88 -56.23 24.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.711 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.1 m -58.63 -47.64 83.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.38 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' LEU . . . . . 0.46 ' O ' HG13 ' A' ' 123' ' ' ILE . 4.3 mm? -66.06 -49.91 66.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.742 -176.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 43.6 mtp -70.58 -33.88 71.57 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.784 -176.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.5 ' HA ' HG22 ' A' ' 124' ' ' VAL . 66.6 mtt180 -64.99 -36.49 84.57 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.711 177.428 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.3 t -67.51 -35.85 79.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.779 175.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ILE . . . . . 0.46 HG13 ' O ' ' A' ' 119' ' ' LEU . 75.4 mt -66.51 -46.13 87.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.087 178.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' VAL . . . . . 0.5 HG22 ' HA ' ' A' ' 121' ' ' ARG . 33.5 m -81.4 35.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.253 0.549 . . . . 0.0 111.636 -177.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -83.32 5.64 22.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.525 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' THR . . . . . 0.417 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 21.2 p -51.23 124.84 23.64 Favored Pre-proline 0 C--O 1.234 0.282 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.513 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 126' ' ' THR . 8.1 Cg_exo -72.89 171.68 16.95 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 123.072 2.515 . . . . 0.0 112.26 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 68.79 14.67 8.97 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.719 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -85.78 89.1 7.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.12 0.486 . . . . 0.0 109.977 177.099 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -153.39 156.85 39.04 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.357 -176.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -79.5 25.68 0.32 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.775 0.322 . . . . 0.0 111.774 -176.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 6.7 p -70.29 -40.71 74.12 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 171.109 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 27.1 m -101.78 178.16 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.263 168.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 57.4 tt0 61.99 89.24 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.314 0.578 . . . . 0.0 110.942 178.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' LEU . . . . . 0.786 ' H ' HD21 ' A' ' 135' ' ' LEU . 1.0 OUTLIER -81.24 90.68 6.11 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.377 0.608 . . . . 0.0 109.371 176.095 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -104.07 176.61 5.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.72 0.772 . . . . 0.0 113.042 -171.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -158.55 34.18 0.23 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.122 -1.399 . . . . 0.0 108.748 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -115.85 92.43 3.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.625 -172.458 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -125.03 133.01 53.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -82.13 118.48 23.09 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.274 0.559 . . . . 0.0 112.194 -177.437 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -114.11 1.26 14.54 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 165.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 . . . . . 0 C--O 1.243 0.716 0 CA-C-N 113.553 -1.658 . . . . 0.0 107.805 170.227 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.723 ' HG3' HD22 ' A' ' 14' ' ' LEU . 20.9 ptt180 -60.28 -29.87 69.1 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.811 178.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.723 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.8 mm? -70.59 -35.79 73.21 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-O 120.929 0.395 . . . . 0.0 110.103 176.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.08 -26.61 65.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.156 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.9 m -67.96 -27.55 66.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.299 175.27 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 17' ' ' ARG . 22.2 ttm-85 -82.08 -32.78 30.14 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.277 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.77 -146.46 18.47 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.536 -0.757 . . . . 0.0 112.224 173.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.73 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 27.0 m0 68.58 158.31 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.908 0.883 . . . . 0.0 113.009 175.604 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -98.98 131.7 24.96 Favored Pre-proline 0 N--CA 1.449 -0.475 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.001 -177.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -79.32 119.1 4.09 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 122.322 2.015 . . . . 0.0 111.52 173.536 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.3 m -122.39 164.25 19.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.013 0.435 . . . . 0.0 111.988 -175.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.512 ' HB2' HG22 ' A' ' 26' ' ' THR . 45.1 mt-10 -111.88 174.42 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 176.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.31 72.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.886 0.374 . . . . 0.0 110.736 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.3 t -80.85 -58.12 3.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.42 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.512 HG22 ' HB2' ' A' ' 23' ' ' GLU . 14.4 t -73.67 -6.18 45.18 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -171.222 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.5 p -67.65 -26.54 35.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.61 -53.25 58.8 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.437 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -65.61 -35.87 82.07 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.905 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -58.6 -50.54 73.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.525 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 27' ' ' VAL . 85.9 mt -58.97 -47.34 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.575 -178.369 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -27.52 69.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.172 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.526 ' O ' ' HD3' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -81.61 -45.14 16.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.68 0.276 . . . . 0.0 110.634 -179.168 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.507 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 34.6 m -76.95 -39.31 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.761 -175.333 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.73 -56.57 5.04 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 121.108 -0.567 . . . . 0.0 112.257 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -123.32 122.08 37.42 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -176.101 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.52 -177.33 48.31 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 120.071 -1.062 . . . . 0.0 112.827 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.447 ' HB ' ' CG2' ' A' ' 95' ' ' THR . 14.2 m -139.69 135.92 39.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.043 0.449 . . . . 0.0 110.605 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.401 ' N ' HD12 ' A' ' 39' ' ' ILE . 3.4 mp -102.63 125.39 56.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.3 mt -93.45 118.71 31.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.792 176.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.463 HD22 ' HA ' ' A' ' 80' ' ' SER . 88.5 mt -84.15 173.92 10.66 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.5 t . . . . . 0 C--N 1.325 -0.488 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.53 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 121.112 0.482 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.4 ptt? -92.18 -4.97 53.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.044 0.449 . . . . 0.0 110.76 -176.647 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.0 tp -72.88 -21.51 19.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.308 0.575 . . . . 0.0 110.078 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.17 -46.69 76.51 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.456 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.675 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 11.7 pt-20 -70.01 -29.25 66.27 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.696 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.12 -51.93 67.02 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 173.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.1 tt -55.21 -42.7 73.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.211 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.675 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 5.2 ptp180 -80.22 -8.98 59.7 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -176.038 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.41 ' HA ' ' OE1' ' A' ' 64' ' ' GLU . 4.3 tp10 -83.21 -17.95 40.98 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.484 ' HE2' ' SD ' ' A' ' 120' ' ' MET . 20.0 m-85 -119.9 73.18 17.9 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.857 175.574 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -82.48 9.96 3.79 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.819 2.346 . . . . 0.0 112.609 -173.609 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -71.84 -35.31 69.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.404 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.524 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 4.5 m-85 -112.79 160.07 18.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.083 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -102.81 97.35 7.51 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 173.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.524 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 12.1 m95 -84.78 136.28 33.76 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.423 -171.588 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.507 ' OE1' ' HB ' ' A' ' 34' ' ' VAL . 28.0 mp0 -102.45 130.65 49.3 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 170.003 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.73 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 22.7 t -104.97 137.06 36.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.44 158.99 33.02 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.762 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 13.7 m -118.14 134.4 61.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.883 177.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.602 ' O ' ' HB2' ' A' ' 79' ' ' GLN . . . -102.27 24.54 10.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.166 -172.808 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.535 ' CG ' ' H ' ' A' ' 77' ' ' LEU . 18.8 t70 54.66 -157.8 0.2 Allowed 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.535 ' H ' ' CG ' ' A' ' 76' ' ' ASP . 6.2 mp -101.15 -35.89 9.15 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 177.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -77.11 -53.8 7.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.035 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.602 ' HB2' ' O ' ' A' ' 75' ' ' ALA . 63.5 mm-40 -57.91 -33.65 69.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.888 -174.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.463 ' HA ' HD22 ' A' ' 41' ' ' LEU . 72.4 m -53.01 -33.89 53.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.356 178.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLU . . . . . 0.535 ' HG3' ' HD2' ' A' ' 91' ' ' ARG . 38.2 tt0 -72.82 -42.95 63.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.633 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.11 -42.2 60.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.873 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.461 HD12 ' HB1' ' A' ' 75' ' ' ALA . 60.0 mt -64.59 -44.24 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 178.385 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.486 ' HA2' HG12 ' A' ' 89' ' ' VAL . . . -60.56 -39.07 95.94 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.026 178.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -62.72 -46.11 89.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.822 0.344 . . . . 0.0 110.485 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -62.34 -42.41 99.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.222 -177.029 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -92.18 5.29 50.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.988 0.423 . . . . 0.0 111.337 -175.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 68.05 34.5 4.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.3 170.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.505 HG21 ' HB3' ' A' ' 94' ' ' ALA . 8.0 p -95.06 9.88 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 122.076 0.941 . . . . 0.0 108.462 173.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 72.56 -81.85 0.03 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-N 113.907 -1.497 . . . . 0.0 110.938 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.535 ' HD2' ' HG3' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -171.58 19.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.338 . . . . 0.0 110.746 -179.448 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -104.58 155.62 37.12 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.263 -175.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.24 126.07 17.76 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.035 2.49 . . . . 0.0 112.131 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.505 ' HB3' HG21 ' A' ' 89' ' ' VAL . . . -164.56 157.13 16.72 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.135 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.447 ' CG2' ' HB ' ' A' ' 38' ' ' VAL . 22.6 m -95.32 136.6 35.47 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.22 174.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.11 124.78 35.59 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 38.2 t -92.74 106.15 17.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.552 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.46 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 23.5 m-85 -117.41 123.21 45.87 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.24 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 33.6 p -144.34 153.8 42.37 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 177.018 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 64.5 14.48 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.339 0.4 . . . . 0.0 110.852 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 69.82 23.54 76.83 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.254 -173.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -138.76 154.78 48.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.95 0.405 . . . . 0.0 110.795 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.46 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 57.7 tp -80.19 122.99 27.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.009 0.433 . . . . 0.0 111.437 -177.17 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.503 ' HB3' HG22 ' A' ' 123' ' ' ILE . 20.2 mmt180 -89.4 -33.74 16.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.164 175.081 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 147.89 -159.15 27.94 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.845 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -124.85 163.08 22.96 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.77 0.319 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.27 -40.12 85.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.449 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 85.1 mt -57.97 -57.71 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.701 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 45.6 m -64.42 -39.7 94.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.497 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.15 -50.65 71.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 110.181 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.506 ' O ' HG22 ' A' ' 124' ' ' VAL . 27.2 ttt -68.77 -38.94 80.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.255 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -60.84 -36.07 78.18 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 122.245 0.218 . . . . 0.0 111.552 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.9 t -59.34 -30.69 68.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.659 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.503 HG22 ' HB3' ' A' ' 104' ' ' ARG . 54.3 mt -86.68 -41.58 14.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.746 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 120' ' ' MET . 35.7 m -97.0 33.4 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.026 0.441 . . . . 0.0 111.114 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.636 -175.972 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 112.484 0.549 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.484 ' O ' HG22 ' A' ' 16' ' ' THR . 21.2 ptt180 -66.16 -26.65 67.52 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.599 0.238 . . . . 0.0 111.159 -176.289 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.64 HD11 HG22 ' A' ' 56' ' ' VAL . 4.0 mm? -73.97 -37.96 64.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.066 0.46 . . . . 0.0 110.447 176.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.538 ' HA ' ' HB2' ' A' ' 19' ' ' TRP . 70.7 mt -66.52 -27.16 67.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.698 -175.062 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 13' ' ' ARG . 4.1 t -59.25 -25.63 64.22 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -173.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -76.78 4.72 9.05 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.715 0.293 . . . . 0.0 111.477 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.58 29.78 8.05 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.48 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.538 ' HB2' ' HA ' ' A' ' 15' ' ' LEU . 36.2 m0 -96.49 131.2 43.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.067 0.461 . . . . 0.0 110.312 -178.347 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -98.84 121.28 56.54 Favored Pre-proline 0 N--CA 1.445 -0.695 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.76 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.519 ' HD3' HD22 ' A' ' 15' ' ' LEU . 37.3 Cg_endo -68.59 132.88 26.31 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 121.997 1.798 . . . . 0.0 110.155 170.458 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.4 m -123.92 166.68 18.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.675 0.75 . . . . 0.0 112.675 -174.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.544 ' HB2' HG22 ' A' ' 26' ' ' THR . 52.3 mt-10 -119.69 175.7 5.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.307 -1.315 . . . . 0.0 108.599 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.8 -30.03 66.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.236 0.541 . . . . 0.0 110.391 176.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.3 t -78.29 -53.71 7.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.389 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.544 HG22 ' HB2' ' A' ' 23' ' ' GLU . 14.5 t -79.11 -13.22 59.87 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -172.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.487 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.8 p -62.18 -32.71 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 176.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.3 -47.82 84.4 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.277 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.55 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 12.9 t70 -68.0 -45.33 74.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.868 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.405 ' O ' HG22 ' A' ' 34' ' ' VAL . 78.6 t90 -58.31 -46.2 86.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 27' ' ' VAL . 96.4 mt -57.94 -52.36 59.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.235 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.55 ' HE3' ' HA ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -70.86 -20.64 62.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.963 0.411 . . . . 0.0 111.113 -177.562 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -72.98 -46.43 52.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.154 0.502 . . . . 0.0 110.954 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 30' ' ' TRP . 34.7 m -88.18 -36.79 9.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.089 -177.273 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.66 -50.26 4.33 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.607 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -124.69 133.78 53.09 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.9 -175.74 42.08 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.198 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.8 m -131.05 139.74 50.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.186 0.517 . . . . 0.0 111.368 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.463 ' HB ' ' HB2' ' A' ' 96' ' ' LEU . 70.4 mt -109.17 123.77 65.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.406 175.03 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.464 HD11 HG21 ' A' ' 58' ' ' ILE . 76.5 mt -98.42 127.17 44.24 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.413 HD12 ' H ' ' A' ' 94' ' ' ALA . 74.3 mt -77.26 157.01 31.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 174.549 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.327 -174.646 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.64 HG22 HD11 ' A' ' 14' ' ' LEU . 23.9 t . . . . . 0 CA--C 1.528 0.115 0 CA-C-O 121.143 0.497 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.411 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 26.5 mmt -95.59 11.1 34.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.904 -174.465 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.464 HG21 HD11 ' A' ' 40' ' ' LEU . 10.8 tt -80.87 -14.05 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.707 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.78 75.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.814 -176.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 57' ' ' MET . 11.4 pt-20 -73.44 -28.05 61.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.179 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.59 HD21 HD22 ' A' ' 116' ' ' LEU . 1.8 tm? -57.3 -45.26 84.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.162 0.506 . . . . 0.0 110.397 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.96 -27.04 60.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.794 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -74.55 -12.35 60.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.066 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -79.9 -19.61 47.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.877 0.37 . . . . 0.0 110.31 -174.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -120.5 70.63 17.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.143 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -81.85 42.94 1.41 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.315 2.01 . . . . 0.0 112.411 -174.233 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -91.57 -40.61 11.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.332 0.587 . . . . 0.0 109.493 178.248 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.406 ' HD2' ' CE2' ' A' ' 70' ' ' TRP . 2.2 m-85 -113.48 174.17 6.05 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.28 -179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -97.4 89.56 4.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.163 0.506 . . . . 0.0 109.725 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.406 ' CE2' ' HD2' ' A' ' 68' ' ' PHE . 51.1 m95 -79.75 143.52 34.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.997 -176.735 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -133.07 155.38 49.33 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.239 172.075 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.9 t -109.98 127.96 66.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.133 0.492 . . . . 0.0 111.117 -175.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -119.22 141.8 48.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.38 174.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 15.4 m -120.57 135.96 59.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.161 0.505 . . . . 0.0 110.921 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.428 ' HB1' ' HA ' ' A' ' 80' ' ' SER . . . -91.93 128.31 37.72 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.541 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.532 ' HB3' ' OE1' ' A' ' 79' ' ' GLN . 17.0 t70 -64.92 159.05 23.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.003 177.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.515 ' H ' HD12 ' A' ' 77' ' ' LEU . 6.7 mp -51.99 -33.86 40.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.919 0.39 . . . . 0.0 111.722 -176.48 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -78.03 -52.3 9.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.166 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.537 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 25.0 mp0 -74.93 -24.7 58.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -172.211 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.428 ' HA ' ' HB1' ' A' ' 75' ' ' ALA . 61.3 p -53.83 -40.02 66.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.085 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -62.14 -51.73 66.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.667 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.57 -38.36 87.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.287 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.1 mt -65.75 -52.96 43.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.809 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.13 -31.56 81.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.909 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.48 -41.2 84.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.696 0.284 . . . . 0.0 110.827 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -60.55 -39.82 89.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -83.62 0.53 46.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.469 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 60.57 30.68 19.92 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.119 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.605 HG21 HD11 ' A' ' 96' ' ' LEU . 57.5 t -86.55 -63.61 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.178 175.655 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.458 ' HG2' ' H ' ' A' ' 91' ' ' ARG . 37.3 ttm180 61.85 179.21 0.12 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.564 176.257 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.458 ' H ' ' HG2' ' A' ' 90' ' ' ARG . 24.6 mmt180 74.17 -134.61 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.891 0.476 . . . . 0.0 111.626 175.727 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.533 ' HB3' ' HD2' ' A' ' 93' ' ' PRO . 65.2 m-85 -75.31 161.61 76.2 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.427 -173.256 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.533 ' HD2' ' HB3' ' A' ' 92' ' ' PHE . 10.3 Cg_endo -53.95 125.72 19.64 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.021 2.481 . . . . 0.0 112.374 178.495 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.461 ' HB1' ' HB1' ' A' ' 106' ' ' ALA . . . -131.54 134.55 46.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.55 -177.694 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.4 m -76.57 124.7 28.02 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 172.127 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.605 HD11 HG21 ' A' ' 89' ' ' VAL . 3.4 mm? -91.15 125.22 35.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.899 0.38 . . . . 0.0 110.25 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 62.7 t -95.4 104.51 15.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.444 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.431 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 21.2 m-85 -109.94 127.39 54.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.472 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.2 p -145.32 136.92 25.3 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.961 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.1 t0 62.57 23.82 14.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.531 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.62 11.96 82.76 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 120.983 -0.627 . . . . 0.0 113.037 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 103' ' ' LEU . 1.5 tmtp? -122.17 143.14 49.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.253 0.527 . . . . 0.0 110.392 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.456 ' N ' ' HD3' ' A' ' 102' ' ' LYS . 68.6 tp -82.35 115.04 21.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.383 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -85.4 -26.64 26.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.614 -177.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 157.03 -177.74 33.77 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.05 176.506 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.461 ' HB1' ' HB1' ' A' ' 94' ' ' ALA . . . -110.68 148.47 32.2 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 178.051 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 107' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.32 -0.684 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.4 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 CA--C 1.521 -0.135 0 CA-C-O 120.878 0.371 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.59 HD22 HD21 ' A' ' 61' ' ' LEU . 6.9 tt -52.04 -40.07 60.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.578 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.48 -36.26 75.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.338 -178.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.0 m -85.93 -50.29 7.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.874 0.369 . . . . 0.0 111.135 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.81 -49.66 74.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.893 -175.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 28.3 ttt -76.02 -34.9 59.69 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.467 -173.487 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.545 ' HA ' HG22 ' A' ' 124' ' ' VAL . 28.7 ttt180 -62.7 -43.53 98.56 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.48 -178.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.3 m -57.14 -30.68 64.63 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.174 0.512 . . . . 0.0 111.2 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 50.4 mm -80.78 -42.05 20.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.01 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.545 HG22 ' HA ' ' A' ' 121' ' ' ARG . 14.8 m -84.27 -12.54 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.659 -175.822 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -178.493 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.499 0.19 . . . . 0.0 111.509 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.407 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 6.1 tpp180 -62.9 -33.42 75.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.316 -177.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.3 mt -66.07 -39.05 89.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.018 0.437 . . . . 0.0 110.019 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.462 HD22 ' HD3' ' A' ' 21' ' ' PRO . 74.5 mt -68.7 -41.43 79.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.948 177.762 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.1 m -56.46 -30.67 63.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.345 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.3 ttm-85 -74.73 -11.41 60.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.364 -175.437 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.74 10.49 10.12 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.471 -0.871 . . . . 0.0 113.12 176.069 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 48.6 m0 -98.32 138.78 35.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.694 0.283 . . . . 0.0 110.798 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -108.6 143.33 27.3 Favored Pre-proline 0 N--CA 1.447 -0.584 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.534 177.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.462 ' HD3' HD22 ' A' ' 15' ' ' LEU . 62.9 Cg_endo -77.58 128.01 9.21 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.587 2.191 . . . . 0.0 112.673 178.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.0 m -111.81 167.47 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.096 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.507 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 39.4 mt-10 -137.34 166.57 23.48 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -176.303 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.69 -20.3 61.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.318 0.58 . . . . 0.0 109.559 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.5 t -66.38 -35.73 81.06 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.23 178.106 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.2 t -128.53 12.08 6.36 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -173.435 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.507 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 14.7 p -68.03 -34.16 65.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 O-C-N 122.294 -0.254 . . . . 0.0 111.141 -177.192 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.38 -48.24 82.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.092 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.3 -46.35 90.18 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.676 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.504 ' O ' HG22 ' A' ' 34' ' ' VAL . 61.5 t90 -55.26 -47.0 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.954 -178.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 27' ' ' VAL . 86.6 mt -58.43 -45.82 89.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.965 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -68.65 -36.59 78.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.542 0.687 . . . . 0.0 111.09 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -67.12 -45.74 76.23 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.268 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 30' ' ' TRP . 18.6 m -89.8 -37.1 9.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.213 -177.472 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.16 -53.89 4.91 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 121.078 -0.582 . . . . 0.0 111.816 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -124.4 133.03 53.52 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -177.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.56 -179.84 42.37 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.346 -0.93 . . . . 0.0 112.621 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.415 HG21 ' HG ' ' A' ' 62' ' ' LEU . 15.3 m -133.93 136.66 53.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.04 0.448 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.43 ' HB ' ' HB2' ' A' ' 96' ' ' LEU . 3.9 mp -105.22 119.04 53.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.452 177.575 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.627 HD11 HG21 ' A' ' 58' ' ' ILE . 82.3 mt -83.53 124.84 31.15 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 176.594 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.438 ' HB3' ' H ' ' A' ' 42' ' ' SER . 47.6 mt -75.32 -164.81 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.946 178.069 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.528 ' HB3' ' HB3' ' A' ' 80' ' ' SER . 81.2 p . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.989 -173.1 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.495 HG23 ' HG3' ' A' ' 57' ' ' MET . 28.2 m . . . . . 0 CA--C 1.534 0.353 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.495 ' HG3' HG23 ' A' ' 56' ' ' VAL . 64.4 mtt -113.0 7.74 18.22 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -177.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.627 HG21 HD11 ' A' ' 40' ' ' LEU . 8.2 tp -81.79 -20.68 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.995 0.426 . . . . 0.0 110.509 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.07 -52.78 53.75 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.36 -176.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -60.76 -29.92 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.159 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.682 HD11 HD22 ' A' ' 116' ' ' LEU . 5.7 tt -70.99 -56.91 5.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.461 0.648 . . . . 0.0 110.18 178.877 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -64.2 -22.5 66.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.051 -171.782 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -85.94 9.3 17.33 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.52 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -87.22 -2.86 58.93 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.281 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -105.91 91.1 4.96 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.145 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.52 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 83.8 Cg_endo -85.36 2.45 7.78 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.635 2.223 . . . . 0.0 112.892 -176.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -58.66 -73.58 0.08 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.026 0.441 . . . . 0.0 110.917 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.422 ' HE2' ' CZ2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -100.85 177.43 4.97 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.403 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -100.19 102.9 14.32 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.422 ' CZ2' ' HE2' ' A' ' 68' ' ' PHE . 51.4 m95 -81.65 148.34 29.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.198 -175.305 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.463 ' HG3' ' HB ' ' A' ' 34' ' ' VAL . 45.2 mm-40 -117.17 134.26 54.99 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.078 176.118 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.3 t -109.7 122.8 64.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -132.61 158.43 42.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.756 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.6 m -118.81 154.92 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.783 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.429 ' CB ' HD12 ' A' ' 83' ' ' ILE . . . -85.85 19.3 2.58 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -173.256 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.497 ' HB3' ' OE1' ' A' ' 79' ' ' GLN . 36.3 t0 64.16 -93.45 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.222 0.609 . . . . 0.0 110.989 178.175 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.592 ' HG ' ' N ' ' A' ' 78' ' ' GLU . 2.5 pt? -154.03 -64.27 0.14 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 122.022 -0.424 . . . . 0.0 111.707 175.113 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.592 ' N ' ' HG ' ' A' ' 77' ' ' LEU . 25.9 tt0 -76.68 -35.29 58.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.792 0.806 . . . . 0.0 110.151 -174.666 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.497 ' OE1' ' HB3' ' A' ' 76' ' ' ASP . 21.0 mp0 -63.54 -24.32 67.76 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.312 -176.286 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.528 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 15.2 m -49.62 -48.01 49.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.572 -178.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -68.52 -39.75 81.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.016 0.436 . . . . 0.0 110.178 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.17 -33.94 76.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.414 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 79' ' ' GLN . 46.0 mt -65.68 -45.75 91.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.652 0.263 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.97 -33.89 88.43 Favored Glycine 0 CA--C 1.518 0.221 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.619 177.359 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -69.39 -42.23 75.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.898 0.38 . . . . 0.0 110.548 177.057 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -54.51 -43.33 71.76 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.572 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -93.2 -2.59 55.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.819 -177.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 56.21 40.74 29.94 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.193 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.485 ' O ' ' HB2' ' A' ' 90' ' ' ARG . 9.5 p -95.57 11.97 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.281 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 89' ' ' VAL . 65.8 mtp180 77.49 -178.95 0.13 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.758 -176.492 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.89 90.79 3.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.082 -174.812 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -163.73 159.67 17.32 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.97 175.362 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.42 122.29 11.08 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.574 2.182 . . . . 0.0 112.241 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -156.48 169.06 25.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.306 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.718 ' HB ' HD23 ' A' ' 107' ' ' LEU . 29.9 m -115.8 130.8 56.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.519 174.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.43 ' HB2' ' HB ' ' A' ' 39' ' ' ILE . 3.5 mm? -90.97 126.06 35.97 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.964 -0.295 . . . . 0.0 110.311 -177.395 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.8 t -97.56 111.0 26.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.471 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -118.63 124.73 48.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.136 0.493 . . . . 0.0 111.486 178.459 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 41.6 p -140.94 136.35 32.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.773 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 62.99 19.71 11.81 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.39 0.431 . . . . 0.0 110.935 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 70.89 20.97 78.06 Favored Glycine 0 CA--C 1.522 0.524 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.284 -173.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -115.6 146.33 41.87 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 63.7 tp -85.84 109.28 18.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.408 ' HB3' HG22 ' A' ' 123' ' ' ILE . 19.1 mmm180 -83.9 -28.93 27.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.076 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 154.76 -160.69 29.81 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.734 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.477 ' HA ' ' O ' ' A' ' 95' ' ' THR . . . -141.87 151.92 43.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.805 0.336 . . . . 0.0 110.992 -178.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.718 HD23 ' HB ' ' A' ' 95' ' ' THR . 3.5 mm? . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.432 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 . . . . . 0 N--CA 1.463 0.207 0 CA-C-O 121.225 0.536 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.682 HD22 HD11 ' A' ' 61' ' ' LEU . 9.7 tt -53.62 -45.35 70.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.46 -178.451 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.1 -37.15 71.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.153 -173.545 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.6 m -82.82 -50.76 8.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.644 0.259 . . . . 0.0 110.968 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.472 ' O ' HG13 ' A' ' 123' ' ' ILE . 3.7 mm? -59.91 -40.32 88.43 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.535 -177.341 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.531 ' O ' HG22 ' A' ' 124' ' ' VAL . 15.2 tpt -57.51 -38.11 74.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.835 0.35 . . . . 0.0 110.609 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 40.7 mtt85 -66.63 -40.13 88.59 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.339 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.9 m -67.42 -34.43 77.21 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-O 121.043 0.449 . . . . 0.0 111.111 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 119' ' ' LEU . 70.8 mt -68.72 -43.18 83.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 120' ' ' MET . 33.3 m -94.88 19.94 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.413 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.269 179.833 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 . . . . . 0 C--O 1.233 0.22 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.527 ' HG3' HD22 ' A' ' 14' ' ' LEU . 19.2 ptt180 -62.99 -31.57 72.72 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.552 -176.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.527 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.8 mm? -70.13 -40.67 74.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.789 0.328 . . . . 0.0 110.461 176.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.03 -33.3 75.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.158 0.504 . . . . 0.0 110.129 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.7 m -62.54 -25.85 68.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.29 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -71.83 -6.94 45.27 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.994 0.426 . . . . 0.0 110.741 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.6 25.03 3.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.772 . . . . 0.0 113.038 173.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.403 ' CE3' HG11 ' A' ' 74' ' ' VAL . 39.3 m0 -100.65 144.36 29.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.013 0.435 . . . . 0.0 110.902 -178.094 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -109.4 125.1 32.13 Favored Pre-proline 0 N--CA 1.447 -0.615 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.005 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -77.01 115.6 4.04 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.227 1.951 . . . . 0.0 111.253 173.155 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.0 m -112.21 153.98 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.958 0.408 . . . . 0.0 111.44 -175.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.464 ' H ' ' HB ' ' A' ' 26' ' ' THR . 41.3 mt-10 -101.06 -174.61 2.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.785 -177.186 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.17 -48.21 71.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.925 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.3 p -89.35 -35.93 15.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.994 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.464 ' HB ' ' H ' ' A' ' 23' ' ' GLU . 10.9 m -64.74 -26.96 68.58 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.664 -177.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 31' ' ' ILE . 8.3 p -68.78 -29.79 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.765 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -65.03 -37.32 87.22 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.149 0.5 . . . . 0.0 110.233 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -72.95 -38.77 66.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.949 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.432 ' O ' HG22 ' A' ' 34' ' ' VAL . 84.1 t90 -58.71 -45.41 89.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.264 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 27' ' ' VAL . 90.4 mt -60.1 -45.8 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.094 178.557 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -27.95 67.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.823 0.344 . . . . 0.0 110.801 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -72.75 -47.26 48.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.565 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 30' ' ' TRP . 28.3 m -94.39 -38.79 9.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.404 -173.415 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.44 -52.33 4.65 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.806 -0.712 . . . . 0.0 111.954 -175.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -116.55 128.68 55.65 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.95 173.67 41.83 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 119.869 -1.157 . . . . 0.0 112.584 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.3 m -130.87 134.0 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.01 0.433 . . . . 0.0 110.812 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.04 127.63 64.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.534 ' HB2' HG12 ' A' ' 74' ' ' VAL . 66.5 mt -91.79 133.97 35.16 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 176.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 60.6 mt -82.27 173.88 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.821 0.344 . . . . 0.0 110.383 176.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 C--N 1.32 -0.695 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.622 -177.341 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.0 t . . . . . 0 N--CA 1.466 0.351 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.47 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 27.2 ttt -61.06 -28.31 68.98 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.742 0.306 . . . . 0.0 111.777 -175.274 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.0 tp -62.62 -18.24 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 121.125 0.488 . . . . 0.0 111.591 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.1 97.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.766 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 57' ' ' MET . 10.6 pt-20 -72.01 -28.24 63.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.809 0.338 . . . . 0.0 110.706 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.26 -54.1 34.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 174.375 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.7 tt -51.86 -45.43 64.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.596 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -69.19 -7.98 41.45 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.78 -20.61 45.85 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -128.2 54.73 14.2 Favored Pre-proline 0 CA--C 1.531 0.24 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.099 -175.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -81.89 43.3 1.49 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.15 1.9 . . . . 0.0 112.397 -173.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -88.44 -45.2 10.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.166 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.536 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 6.0 m-85 -100.22 171.1 8.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.679 -177.607 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -88.24 75.08 8.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.352 0.596 . . . . 0.0 109.422 177.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.536 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 90.5 m95 -68.7 145.94 53.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.43 -175.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -137.59 145.58 42.98 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.494 175.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.0 t -103.96 127.8 57.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.186 0.517 . . . . 0.0 111.433 -174.829 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.26 148.09 45.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.915 175.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.534 HG12 ' HB2' ' A' ' 40' ' ' LEU . 28.9 m -132.89 171.09 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.749 0.309 . . . . 0.0 110.954 -177.573 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.608 ' HB1' ' HG3' ' A' ' 79' ' ' GLN . . . -145.89 150.16 35.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.008 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.417 ' C ' HD12 ' A' ' 77' ' ' LEU . 1.2 p30 -86.92 -87.02 0.15 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -177.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.417 HD12 ' C ' ' A' ' 76' ' ' ASP . 7.6 mp -125.48 -76.45 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.929 -0.482 . . . . 0.0 112.026 -174.239 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -56.02 -54.03 49.79 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.397 0.618 . . . . 0.0 111.091 -175.123 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.608 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 2.5 pt20 -56.75 -42.19 78.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.479 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.8 m -53.53 -44.79 69.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.738 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -66.07 -46.9 76.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.663 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.28 92.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.024 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.15 -51.09 77.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.445 176.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.34 -44.96 97.39 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.76 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -56.89 -45.23 82.73 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.747 0.308 . . . . 0.0 110.979 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -62.1 -40.83 97.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.041 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -82.62 0.14 44.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.906 0.384 . . . . 0.0 110.422 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 70.94 21.62 4.92 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.253 176.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 62.7 t -128.14 100.52 6.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.096 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.41 ' HD3' ' N ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -127.43 24.79 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.107 0.479 . . . . 0.0 110.501 -178.148 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -135.67 133.02 37.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.058 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 74.09 141.92 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.409 0 O-C-N 124.233 0.958 . . . . 0.0 111.081 -178.099 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -67.43 114.65 3.34 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.069 1.846 . . . . 0.0 109.737 171.177 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -142.99 139.67 30.72 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.191 0.519 . . . . 0.0 111.532 -172.225 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.685 ' HB ' HD23 ' A' ' 107' ' ' LEU . 10.7 m -78.98 133.54 36.85 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.961 173.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -91.91 128.34 37.72 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 22.1 t -104.45 114.22 43.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.391 -174.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -118.19 139.34 51.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.928 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.3 142.72 24.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.456 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.4 t70 63.49 14.61 8.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.511 0.672 . . . . 0.0 111.179 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.72 5.38 89.9 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.175 -176.105 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -120.2 161.29 21.31 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.789 0.328 . . . . 0.0 110.576 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.5 tp -76.34 139.1 40.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.072 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -120.87 -37.24 3.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.28 178.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 171.28 -162.04 34.66 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.18 -1.009 . . . . 0.0 112.417 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -153.63 166.81 31.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.951 0.405 . . . . 0.0 110.781 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.685 HD23 ' HB ' ' A' ' 95' ' ' THR . 3.8 mm? . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.296 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 . . . . . 0 CA--C 1.52 -0.197 0 CA-C-O 120.972 0.415 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.0 tt -57.98 -48.14 80.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.691 176.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 69.4 mt -58.05 -46.69 84.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.473 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 59.4 m -61.09 -51.48 68.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.313 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.437 ' O ' HG13 ' A' ' 123' ' ' ILE . 97.2 mt -64.47 -47.09 80.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.717 0.294 . . . . 0.0 111.05 -178.56 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 14.8 tpt -63.47 -40.86 98.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.378 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.642 ' HA ' HG22 ' A' ' 124' ' ' VAL . 41.8 mtt180 -65.5 -36.67 84.54 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 177.696 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 25.0 t -60.66 -38.69 85.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.03 174.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 119' ' ' LEU . 84.0 mt -68.14 -47.88 76.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.187 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.642 HG22 ' HA ' ' A' ' 121' ' ' ARG . 26.1 m -77.79 4.2 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -175.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 N--CA 1.463 0.184 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.687 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.7 ' HG3' HD22 ' A' ' 14' ' ' LEU . 8.3 ptp180 -62.93 -29.29 70.68 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.574 -177.213 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.7 HD22 ' HG3' ' A' ' 13' ' ' ARG . 2.8 mm? -72.43 -31.09 65.19 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.108 0.48 . . . . 0.0 109.919 178.537 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.6 mt -66.15 -38.59 88.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.568 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.9 m -67.41 -27.12 66.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.952 177.367 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -76.39 -14.97 60.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.245 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.31 26.01 6.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.67 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -99.89 130.73 46.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.744 0.307 . . . . 0.0 110.424 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -101.42 122.58 47.55 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.621 -177.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 4.2 Cg_exo -75.33 114.64 4.04 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.871 2.381 . . . . 0.0 111.249 173.027 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.2 m -116.75 175.36 3.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.235 0.541 . . . . 0.0 112.143 -174.295 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.517 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 38.2 mt-10 -110.78 167.48 10.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.201 178.484 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.47 -21.39 64.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.349 0.595 . . . . 0.0 110.572 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.7 p -80.79 -62.22 1.73 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.999 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.5 t -73.09 -17.37 61.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.324 -172.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' ' 31' ' ' ILE . 9.1 p -62.4 -31.29 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.81 0.338 . . . . 0.0 110.251 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -61.0 -49.13 78.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.416 0.627 . . . . 0.0 110.215 177.565 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -70.96 -35.88 72.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.435 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.459 ' O ' HG22 ' A' ' 34' ' ' VAL . 85.6 t90 -59.06 -49.92 76.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.68 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 27' ' ' VAL . 94.8 mt -60.62 -39.58 81.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.077 0.465 . . . . 0.0 110.681 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -71.06 -23.74 62.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.934 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.42 ' O ' ' HD3' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -77.15 -44.27 30.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.901 -179.667 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 30' ' ' TRP . 26.1 m -85.87 -45.0 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.783 -177.184 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.95 -18.36 27.2 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.728 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.502 ' OD2' ' HB2' ' A' ' 68' ' ' PHE . 28.0 t0 -142.13 155.93 45.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -176.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.529 ' HA2' ' HB3' ' A' ' 70' ' ' TRP . . . 129.53 -176.09 18.7 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 119.957 -1.116 . . . . 0.0 113.778 172.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.0 m -130.6 144.35 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.011 0.434 . . . . 0.0 111.108 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.565 HG13 ' HB3' ' A' ' 73' ' ' ALA . 2.6 mp -110.88 132.01 60.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.728 177.806 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.531 ' HB2' HG12 ' A' ' 74' ' ' VAL . 87.3 mt -108.4 134.17 51.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.861 0.363 . . . . 0.0 110.898 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.1 mt -93.73 153.68 18.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.333 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.155 179.696 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.429 ' C ' ' H ' ' A' ' 58' ' ' ILE . 26.9 m . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 65.2 mtm 71.38 -20.74 0.22 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.312 0.645 . . . . 0.0 112.097 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.449 HD11 HG21 ' A' ' 95' ' ' THR . 8.7 tp -74.08 -30.87 28.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.262 -177.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.36 -45.84 36.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.974 0.416 . . . . 0.0 111.053 -176.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.672 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 1.7 pm0 -65.81 -28.15 68.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.135 177.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.582 HD11 HD21 ' A' ' 116' ' ' LEU . 1.6 tt -52.46 -47.51 66.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.444 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' A' ' 62' ' ' LEU . 2.7 mm? -61.28 -22.12 64.57 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -173.451 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.672 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 5.1 ptp180 -76.26 -2.94 33.87 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.366 -0.534 . . . . 0.0 111.094 -176.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -78.94 -10.56 59.85 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.135 0.493 . . . . 0.0 109.821 174.461 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -117.72 76.44 10.55 Favored Pre-proline 0 N--CA 1.452 -0.366 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.44 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -77.49 43.85 1.41 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.124 2.549 . . . . 0.0 112.457 -174.575 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -105.68 -67.5 0.92 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.962 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.502 ' HB2' ' OD2' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -95.49 176.81 6.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.937 -177.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -112.71 90.12 3.26 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 175.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.529 ' HB3' ' HA2' ' A' ' 37' ' ' GLY . 10.4 m95 -72.5 139.65 47.75 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.979 -173.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -101.39 166.91 10.5 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.1 t -129.09 125.39 62.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.979 0.419 . . . . 0.0 110.401 177.719 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.565 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -117.13 144.0 45.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.147 177.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.531 HG12 ' HB2' ' A' ' 40' ' ' LEU . 18.3 m -125.23 155.41 34.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.384 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.69 156.12 19.43 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.685 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -68.14 -105.34 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.674 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.1 mp -124.37 -66.95 0.95 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -59.15 -41.46 88.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.556 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.517 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 18.4 mp0 -54.3 -37.02 64.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.719 -179.082 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.5 m -64.16 -38.17 90.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.9 0.381 . . . . 0.0 110.701 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -74.23 -40.3 62.5 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.56 96.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.08 177.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 79' ' ' GLN . 67.5 mt -61.57 -47.38 93.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.179 175.336 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.82 -42.1 94.4 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.71 176.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -57.83 -45.44 86.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.963 0.411 . . . . 0.0 111.025 177.361 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -60.64 -36.11 77.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.881 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -106.24 5.32 29.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.724 0.297 . . . . 0.0 111.232 -175.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 62.17 34.38 16.23 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.329 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 44.0 t -93.91 143.66 11.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.042 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -69.08 160.88 30.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.626 0.25 . . . . 0.0 110.608 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.3 mtp-105 -74.43 78.29 1.9 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.515 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -147.3 160.84 38.35 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.569 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -62.31 114.63 2.43 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.846 1.697 . . . . 0.0 110.922 172.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -141.26 147.26 37.94 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.497 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.591 ' HB ' ' HB2' ' A' ' 107' ' ' LEU . 24.7 m -106.19 120.72 42.56 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.85 176.064 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -93.11 124.8 37.34 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.531 HG11 HG12 ' A' ' 124' ' ' VAL . 60.4 t -96.72 119.74 45.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.114 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.406 ' CD2' HD13 ' A' ' 39' ' ' ILE . 23.2 m-85 -122.14 125.82 47.0 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -176.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.412 HG22 ' OD1' ' A' ' 36' ' ' ASP . 70.6 p -145.43 147.86 32.68 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 174.342 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 36.9 t70 65.61 19.26 11.44 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.84 0.829 . . . . 0.0 109.381 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 70.68 6.54 59.35 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.349 -174.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -115.05 158.16 22.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.077 0.465 . . . . 0.0 111.116 -176.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.7 tp -81.96 127.83 33.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.337 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.573 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 8.9 mmp_? -89.69 -42.71 11.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.144 177.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 173.99 170.83 37.8 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.741 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -112.96 140.26 47.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.788 0.327 . . . . 0.0 110.508 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.591 ' HB2' ' HB ' ' A' ' 95' ' ' THR . 4.2 mm? . . . . . 0 C--N 1.323 -0.587 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.506 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 CA--C 1.52 -0.178 0 CA-C-O 121.099 0.476 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.582 HD21 HD11 ' A' ' 61' ' ' LEU . 10.0 tt -54.8 -47.86 73.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.191 175.074 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.21 -51.55 68.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.589 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.1 m -53.65 -47.73 70.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.312 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 119' ' ' LEU . 4.4 mm? -72.45 -49.79 30.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.718 -178.55 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.43 ' O ' HG22 ' A' ' 124' ' ' VAL . 66.7 mtp -63.59 -27.67 69.41 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.233 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -62.73 -39.07 92.96 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.891 0.377 . . . . 0.0 110.487 175.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.4 t -72.91 -30.26 63.77 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.974 177.256 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.431 ' O ' ' HB3' ' A' ' 104' ' ' ARG . 46.9 mm -68.57 -47.59 76.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.705 176.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.531 HG12 HG11 ' A' ' 97' ' ' VAL . 18.8 m -88.36 17.28 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.969 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.4 t70 . . . . . 0 N--CA 1.464 0.271 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.547 -178.668 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 CA--C 1.533 0.304 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -56.66 -33.94 66.86 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 122.446 -0.159 . . . . 0.0 110.968 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -75.23 -44.0 48.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.145 0.498 . . . . 0.0 109.781 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.8 mt -59.78 -37.85 80.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.737 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -60.94 -29.54 69.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.945 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -80.16 -0.6 36.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.675 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.41 1.26 55.6 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 31.7 m0 -67.05 131.53 46.03 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.449 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 34.1 tp60 -103.77 123.06 42.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.946 -171.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 7.2 Cg_exo -73.28 126.75 11.31 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.897 2.398 . . . . 0.0 111.707 176.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.95 163.56 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.55 -177.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.555 ' HB2' HG22 ' A' ' 26' ' ' THR . 45.9 mt-10 -112.86 164.4 13.46 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.22 -27.65 65.66 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.096 0.474 . . . . 0.0 111.019 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 p -82.62 -16.51 48.13 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.371 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.555 HG22 ' HB2' ' A' ' 23' ' ' GLU . 12.6 t -129.73 0.73 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -176.851 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.457 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.6 p -64.85 -44.81 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 121.322 -0.151 . . . . 0.0 111.161 -176.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.487 ' HA ' HD12 ' A' ' 31' ' ' ILE . 4.7 p-10 -64.2 -32.43 74.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.845 0.355 . . . . 0.0 110.898 -177.842 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.2 -41.33 86.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.372 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -67.03 -40.52 87.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.763 176.451 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 28' ' ' ASP . 96.1 mt -59.43 -51.63 70.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.496 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -19.93 64.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 111.134 -178.294 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 -74.12 -46.17 44.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.158 0.504 . . . . 0.0 110.931 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.7 m -87.93 -35.02 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.884 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.41 -61.21 1.51 Allowed Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.147 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -120.66 131.75 54.74 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.767 0.318 . . . . 0.0 110.402 -174.499 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.86 179.6 45.54 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.914 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.6 m -130.23 134.86 61.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.189 0.519 . . . . 0.0 111.421 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.546 HG13 ' HB3' ' A' ' 73' ' ' ALA . 2.1 mp -109.06 127.84 65.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.724 177.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.409 HD11 HG21 ' A' ' 58' ' ' ILE . 95.0 mt -104.29 129.95 52.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.912 0.387 . . . . 0.0 110.625 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.8 mt -89.55 168.57 12.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.69 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 C--O 1.235 0.316 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.331 175.602 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.6 m . . . . . 0 C--O 1.233 0.225 0 CA-C-O 122.412 1.101 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.419 ' H ' ' H ' ' A' ' 58' ' ' ILE . 25.8 ptt? 174.94 -0.4 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 113.617 -1.629 . . . . 0.0 108.706 -178.229 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.419 ' H ' ' H ' ' A' ' 57' ' ' MET . 9.8 tp -72.56 -19.66 19.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.022 -174.532 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.63 -42.1 91.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.055 -176.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.431 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 10.1 pt-20 -73.1 -27.59 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 111.185 -177.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.568 HD21 HD22 ' A' ' 116' ' ' LEU . 2.4 tm? -59.59 -56.59 19.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.572 177.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.432 ' HA ' HD13 ' A' ' 62' ' ' LEU . 3.6 mm? -66.1 -21.16 66.34 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -173.434 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.431 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 8.6 ptp180 -83.1 9.28 10.74 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.92 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -84.21 -5.3 59.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.3 0.571 . . . . 0.0 109.475 170.839 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -117.51 79.83 12.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.515 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.29 43.84 1.57 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.011 2.474 . . . . 0.0 113.312 -172.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -103.82 -43.56 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.223 0.535 . . . . 0.0 110.211 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -117.46 161.89 18.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.817 -176.164 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -95.71 92.92 6.81 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 171.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -71.1 143.1 50.74 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.316 -172.405 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -123.34 145.15 48.97 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.98 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.1 t -107.98 123.72 63.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.969 0.414 . . . . 0.0 110.734 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.546 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -117.57 147.17 43.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.241 177.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.8 m -119.67 143.05 32.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.038 0.447 . . . . 0.0 110.759 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.487 ' O ' ' HB2' ' A' ' 79' ' ' GLN . . . -95.43 36.36 1.26 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.192 -178.154 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.6 t70 53.22 -106.27 0.29 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.759 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 98.2 mt -149.41 -56.53 0.19 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 176.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.52 -34.34 72.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.303 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' A' ' 75' ' ' ALA . 9.6 mm100 -67.02 -29.39 69.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.648 -178.542 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 44.9 m -58.87 -38.04 77.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.05 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.26 -49.28 74.65 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.325 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.38 -43.78 84.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.394 -178.266 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.413 HD12 ' CB ' ' A' ' 75' ' ' ALA . 54.3 mt -68.11 -39.24 81.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.399 -177.216 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.67 -37.24 92.03 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.997 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -77.36 -41.69 39.33 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.956 0.408 . . . . 0.0 110.315 176.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -53.57 -41.67 66.77 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.42 -177.681 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -107.66 6.75 28.07 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.591 -177.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 61.15 43.55 10.99 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.12 0.486 . . . . 0.0 111.056 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.4 HG12 ' O ' ' A' ' 89' ' ' VAL . 15.8 t -93.08 -0.19 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.193 -177.196 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.65 ' HA ' ' HE ' ' A' ' 90' ' ' ARG . 6.1 mmp_? 70.54 -176.64 0.2 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.648 -173.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 91' ' ' ARG . 42.8 ttm180 -105.8 65.98 0.72 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.36 0.6 . . . . 0.0 110.036 178.67 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -138.15 138.45 23.14 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.89 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -59.67 114.87 2.25 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.392 2.061 . . . . 0.0 111.998 177.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -151.76 147.88 27.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.477 -177.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.0 m -81.72 128.06 33.58 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.661 176.002 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.12 124.42 35.33 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.858 178.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 47.5 t -96.83 104.12 15.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.165 -177.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.526 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 41.7 m-85 -106.65 133.78 50.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.59 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.01 145.8 25.09 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.43 -175.373 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 p30 56.15 15.07 1.7 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.743 0.817 . . . . 0.0 112.141 -177.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.43 -10.3 71.23 Favored Glycine 0 N--CA 1.442 -0.95 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.313 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -116.21 168.93 9.68 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.544 -178.329 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.526 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 61.5 tp -89.89 134.45 34.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.729 -178.203 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.439 ' HD3' ' HA ' ' A' ' 104' ' ' ARG . 27.4 mmt180 -103.55 -24.79 13.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.271 177.561 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 155.09 178.36 29.28 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.447 176.634 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -105.06 148.5 26.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.323 -0.571 0 CA-C-O 121.257 0.551 . . . . 0.0 111.681 -176.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 N--CA 1.467 0.404 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.568 HD22 HD21 ' A' ' 61' ' ' LEU . 10.5 tt -55.19 -39.48 69.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.402 -177.794 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.85 -48.95 79.57 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.294 -177.261 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.5 m -60.51 -46.82 88.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.018 0.437 . . . . 0.0 111.08 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 119' ' ' LEU . 4.2 mm? -70.08 -49.51 50.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.793 -175.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.483 ' SD ' HD21 ' A' ' 116' ' ' LEU . 58.0 mtp -70.71 -27.56 64.07 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -176.472 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -65.11 -35.8 82.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.017 0.437 . . . . 0.0 111.256 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 t -66.54 -29.56 69.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.607 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.73 -38.41 78.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.968 -176.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 33.4 m -78.54 31.05 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -173.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 121.304 0.573 . . . . 0.0 110.127 175.969 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -65.52 -30.09 70.81 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.995 0.426 . . . . 0.0 110.56 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.3 mt -72.31 -45.59 59.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.282 178.417 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.409 HD22 ' HG3' ' A' ' 21' ' ' PRO . 82.5 mt -60.64 -42.16 96.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.603 178.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.2 m -60.22 -25.28 65.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.097 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 ttm-85 -79.94 8.61 6.64 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.102 0.477 . . . . 0.0 110.885 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.24 22.35 25.06 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.108 173.441 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 45.0 m0 -100.83 131.87 46.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.965 0.412 . . . . 0.0 110.967 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.508 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 28.0 mp0 -91.57 133.67 30.72 Favored Pre-proline 0 N--CA 1.446 -0.655 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.902 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 6.3 Cg_exo -78.85 121.92 5.2 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 123.029 2.486 . . . . 0.0 111.562 175.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.7 m -111.35 155.98 12.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.102 0.477 . . . . 0.0 111.698 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -104.94 166.43 10.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.931 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.448 ' HA ' HG12 ' A' ' 83' ' ' ILE . . . -59.36 -42.34 91.34 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -176.435 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 p -90.17 -38.43 13.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.971 0.415 . . . . 0.0 111.49 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 m -72.26 -23.66 61.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.01 -174.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.541 ' O ' HG13 ' A' ' 31' ' ' ILE . 13.6 p -62.01 -31.89 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.423 0.154 . . . . 0.0 110.822 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.55 -51.54 69.42 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.188 0.518 . . . . 0.0 111.106 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.627 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 25.6 t70 -74.17 -28.26 61.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.126 0.489 . . . . 0.0 110.641 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -59.17 -43.05 92.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 172.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 27' ' ' VAL . 75.8 mt -59.05 -40.26 80.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.255 176.132 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.627 ' HB3' ' O ' ' A' ' 29' ' ' ASP . 1.4 tmmm? -51.67 -40.29 59.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.382 174.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -78.1 -46.48 20.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.407 -172.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.2 m -80.69 -40.74 19.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.97 -175.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.94 -51.38 4.07 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 111.657 -0.577 . . . . 0.0 111.657 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -123.56 147.04 47.66 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.1 -174.75 32.53 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.411 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 19.1 m -137.76 142.16 37.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.183 0.516 . . . . 0.0 111.372 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.56 HG13 ' HB3' ' A' ' 73' ' ' ALA . 3.5 mp -113.47 122.27 67.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.225 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.559 ' HB2' HG12 ' A' ' 74' ' ' VAL . 78.4 mt -87.43 119.38 27.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.1 mt -74.57 152.43 39.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.418 0.628 . . . . 0.0 110.987 177.625 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.55 ' HB2' ' CB ' ' A' ' 80' ' ' SER . 7.0 m . . . . . 0 C--N 1.312 -1.025 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.758 -176.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.233 0.232 0 CA-C-O 121.222 0.534 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.9 ttt -75.23 -2.84 29.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.511 -174.734 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.446 HG12 HD21 ' A' ' 40' ' ' LEU . 11.3 tp -69.84 -29.15 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.53 -32.41 72.34 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.964 176.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.01 -37.6 85.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.006 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.696 HD21 HD22 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -67.12 -45.35 77.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.229 179.794 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.68 -39.86 88.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.606 -176.693 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -74.69 -2.81 27.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.718 0.294 . . . . 0.0 111.435 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.45 ' C ' ' HD3' ' A' ' 66' ' ' PRO . 57.1 mm-40 -91.35 -7.05 52.0 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 175.303 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -122.42 70.36 34.14 Favored Pre-proline 0 C--O 1.235 0.295 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.446 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.45 ' HD3' ' C ' ' A' ' 64' ' ' GLU . 3.2 Cg_exo -80.96 54.27 5.17 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 123.391 2.727 . . . . 0.0 112.101 -175.616 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -117.63 -36.69 3.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.627 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 5.6 m-85 -106.9 161.54 14.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.144 -178.601 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -90.68 89.68 7.62 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.627 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 77.3 m95 -80.32 132.51 35.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.653 0.74 . . . . 0.0 112.29 -172.484 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -115.26 140.62 48.94 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.406 -1.27 . . . . 0.0 108.962 172.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.9 t -107.62 114.05 45.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.136 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.56 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -115.36 146.16 41.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.616 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.559 HG12 ' HB2' ' A' ' 40' ' ' LEU . 20.9 m -134.67 167.38 26.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.659 -178.782 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.38 166.16 20.08 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.527 ' CG ' ' H ' ' A' ' 77' ' ' LEU . 5.2 p-10 -70.64 -93.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -177.299 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.527 ' H ' ' CG ' ' A' ' 76' ' ' ASP . 98.1 mt -144.78 -44.44 0.24 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -78.02 -53.68 7.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.847 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.459 ' O ' HG13 ' A' ' 83' ' ' ILE . 1.7 mp0 -60.63 -28.76 68.8 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.616 178.434 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.55 ' CB ' ' HB2' ' A' ' 42' ' ' SER . 3.6 m -56.24 -45.28 80.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.618 178.466 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -65.7 -40.21 92.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.071 -178.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.72 -36.65 84.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.857 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 79' ' ' GLN . 69.6 mt -65.24 -46.76 89.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-O 120.937 0.399 . . . . 0.0 110.515 177.125 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.3 -37.23 93.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.983 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.71 -48.08 83.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.899 0.38 . . . . 0.0 111.012 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 -60.48 -38.14 83.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.718 -0.673 . . . . 0.0 112.102 -175.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -97.15 -1.38 45.23 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.24 -176.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 61.91 64.17 1.04 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.504 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.4 p -67.16 159.46 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.573 173.37 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.422 ' H ' ' HD2' ' A' ' 90' ' ' ARG . 4.0 mpt_? -67.37 -67.55 0.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.087 -178.612 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -164.68 -43.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.953 0.406 . . . . 0.0 111.381 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -101.48 157.93 32.73 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.405 -176.488 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -49.53 128.23 20.27 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.988 2.459 . . . . 0.0 112.444 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -138.15 161.98 35.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.493 -176.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.491 HG23 HD23 ' A' ' 40' ' ' LEU . 28.1 m -96.43 130.95 43.46 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.756 175.635 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.3 mm? -91.95 124.2 35.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.293 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.1 t -99.94 113.0 34.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.435 -177.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.507 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 34.4 m-85 -111.59 136.82 50.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.32 -178.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 80.6 p -150.09 152.58 35.01 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 176.002 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.4 p30 53.87 19.21 1.85 Allowed 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.734 0.647 . . . . 0.0 112.59 176.287 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.81 -6.96 81.83 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.957 -0.639 . . . . 0.0 113.042 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -116.33 147.53 41.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.671 0.736 . . . . 0.0 112.199 -177.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.507 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 63.9 tp -72.44 122.02 20.55 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.362 175.368 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.721 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -90.14 -36.71 14.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.457 -178.892 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 167.94 179.17 40.37 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.135 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -107.64 160.24 15.84 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 tm? . . . . . 0 C--N 1.324 -0.54 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -178.119 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 . . . . . 0 CA--C 1.523 -0.092 0 CA-C-O 120.994 0.426 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.696 HD22 HD21 ' A' ' 61' ' ' LEU . 7.3 tt -56.86 -50.24 73.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.428 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.571 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 4.3 mm? -53.81 -45.0 70.66 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.818 -177.467 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 21.0 m -63.92 -47.62 79.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.687 0.279 . . . . 0.0 111.384 -177.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 119' ' ' LEU . 4.4 mm? -74.3 -44.49 52.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.33 -177.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -35.92 78.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 110.129 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.571 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -59.09 -43.22 91.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.037 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.2 m -63.32 -30.92 71.97 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 121.211 0.529 . . . . 0.0 110.668 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 65.6 mt -69.52 -38.39 76.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.938 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 29.0 m -100.86 25.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.8 t70 . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 120.873 0.368 . . . . 0.0 110.387 179.282 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 . . . . . 0 CA--C 1.532 0.269 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.665 ' HG3' HD22 ' A' ' 14' ' ' LEU . 11.1 ptp180 -63.88 -29.74 70.9 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -177.557 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.665 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.9 mm? -75.31 -32.34 60.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.825 0.345 . . . . 0.0 110.397 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.8 mt -63.93 -30.92 71.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.252 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.7 m -59.93 -26.19 65.75 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.132 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -82.75 10.6 7.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.015 0.435 . . . . 0.0 110.834 -176.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.93 21.18 31.36 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.49 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 38.0 m0 -94.56 130.05 41.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.058 0.456 . . . . 0.0 110.557 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -93.11 122.71 62.85 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.043 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -77.5 115.73 3.95 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.317 2.011 . . . . 0.0 111.76 174.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.3 m -110.8 171.64 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.891 0.377 . . . . 0.0 111.324 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.466 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 45.9 mt-10 -111.44 170.41 8.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.94 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.508 ' HB2' ' HB3' ' A' ' 79' ' ' GLN . . . -72.36 -48.96 37.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.064 0.459 . . . . 0.0 110.95 -176.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.0 m -78.13 -30.06 49.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.07 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m -90.63 -13.02 35.16 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -172.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.469 HG12 ' O ' ' A' ' 24' ' ' ALA . 11.8 p -62.01 -31.48 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.658 0.266 . . . . 0.0 110.9 -179.034 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -59.15 -47.79 84.0 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.232 0.539 . . . . 0.0 110.783 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -65.68 -40.71 92.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.991 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -59.51 -49.24 78.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.797 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 27' ' ' VAL . 92.7 mt -59.78 -42.46 88.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -25.69 68.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.184 0.516 . . . . 0.0 110.354 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -80.37 -46.21 16.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.024 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 m -82.49 -43.47 19.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.256 -175.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.82 -56.88 3.74 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.056 -0.592 . . . . 0.0 111.653 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.404 ' OD1' ' HA ' ' A' ' 99' ' ' THR . 51.4 m-20 -113.97 139.92 48.84 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.384 -0.408 . . . . 0.0 110.072 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.04 174.07 34.34 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.068 -1.063 . . . . 0.0 112.934 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 10.1 m -131.77 127.97 59.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.139 0.495 . . . . 0.0 110.709 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.474 HG13 ' HB3' ' A' ' 73' ' ' ALA . 4.1 mp -111.29 134.57 53.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.163 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.549 HD12 HG12 ' A' ' 74' ' ' VAL . 76.7 mt -87.37 129.01 35.19 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 177.424 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.508 ' HG ' HD21 ' A' ' 96' ' ' LEU . 24.0 mt -79.71 -170.48 2.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.412 0.625 . . . . 0.0 111.836 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.474 ' N ' ' HB2' ' A' ' 80' ' ' SER . 90.3 p . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.642 -176.162 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 121.786 0.803 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.7 ptp 168.96 -25.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 113.953 -1.476 . . . . 0.0 108.602 -174.372 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 58' ' ' ILE . 8.6 tp -69.17 -28.71 40.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.602 -171.465 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.511 ' O ' ' HG3' ' A' ' 63' ' ' ARG . . . -67.96 -51.51 46.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 110.707 -178.184 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.447 ' HA ' ' HD2' ' A' ' 63' ' ' ARG . 7.7 pt-20 -70.61 -29.44 65.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.989 -178.268 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.417 HD21 HD22 ' A' ' 116' ' ' LEU . 1.3 tm? -60.4 -56.95 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.358 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -64.0 -20.66 66.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.732 -178.554 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 59' ' ' ALA . 58.1 mtt180 -72.72 -5.69 39.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.339 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -84.65 -6.51 59.37 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.727 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -119.61 80.61 23.43 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -86.67 43.34 1.02 Allowed 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.846 2.364 . . . . 0.0 112.31 -175.811 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -110.08 -51.25 2.89 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.003 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.579 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 9.4 m-85 -94.41 165.51 12.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.536 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -102.09 82.62 2.24 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.579 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 61.2 m95 -70.38 147.87 49.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.479 -172.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -126.77 131.13 51.37 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 172.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.9 t -92.79 113.95 28.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.474 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -114.31 140.46 48.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.91 -178.299 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.549 HG12 HD12 ' A' ' 40' ' ' LEU . 16.0 m -118.69 142.83 31.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.292 178.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.5 151.11 31.95 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.672 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.84 ' HB3' ' HG2' ' A' ' 79' ' ' GLN . 2.9 t70 -53.87 147.66 11.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.535 175.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.42 -32.83 71.72 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -174.019 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -79.74 -43.27 22.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.998 0.428 . . . . 0.0 110.264 176.671 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.84 ' HG2' ' HB3' ' A' ' 76' ' ' ASP . 11.2 mm-40 -64.21 -34.83 78.99 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.323 -176.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.474 ' HB2' ' N ' ' A' ' 42' ' ' SER . 2.6 p -62.04 -26.98 68.57 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.891 0.701 . . . . 0.0 112.891 -174.141 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.8 -43.37 88.91 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.154 0.502 . . . . 0.0 109.664 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.8 -34.58 78.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.131 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.5 mt -68.52 -44.18 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.379 177.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.2 -33.0 86.04 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.562 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -70.96 -48.12 55.17 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.33 0.252 . . . . 0.0 111.084 177.073 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.628 ' NE ' ' HA ' ' A' ' 86' ' ' ARG . 1.0 OUTLIER -52.67 -47.03 67.43 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.092 -177.094 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -88.94 -0.82 57.74 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.361 -177.651 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 57.8 36.4 26.41 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.428 0.455 . . . . 0.0 110.378 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.3 t -61.07 -69.41 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.62 -175.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.419 ' HA ' ' HD2' ' A' ' 90' ' ' ARG . 5.9 tpt180 177.89 -158.45 0.02 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.205 176.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -123.9 29.25 6.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.759 0.314 . . . . 0.0 111.132 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -138.57 158.05 71.06 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -61.93 123.62 12.95 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.875 2.384 . . . . 0.0 112.474 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.495 ' HB1' ' HB1' ' A' ' 106' ' ' ALA . . . -151.45 159.88 43.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.638 -179.063 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.413 HG23 HD23 ' A' ' 40' ' ' LEU . 6.4 m -99.03 136.84 38.41 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.756 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.0 mm? -91.68 125.27 36.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.838 0.352 . . . . 0.0 110.561 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.6 t -95.06 100.06 10.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.065 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.462 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 25.3 m-85 -103.81 136.35 43.65 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.368 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.404 ' HA ' ' OD1' ' A' ' 36' ' ' ASP . 0.2 OUTLIER -150.73 136.92 18.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.978 -178.232 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 57.58 17.13 3.76 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.955 0.902 . . . . 0.0 111.943 -178.141 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.77 -11.54 70.92 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.249 -176.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.11 148.72 29.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.378 0.608 . . . . 0.0 112.267 -179.268 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 65.6 tp -82.99 136.1 34.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.349 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.6 mmt-85 -100.12 -39.34 8.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.847 176.841 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 165.51 -166.91 38.69 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.088 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.495 ' HB1' ' HB1' ' A' ' 94' ' ' ALA . . . -111.92 156.26 22.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.673 0.273 . . . . 0.0 110.919 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.924 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 . . . . . 0 CA--C 1.523 -0.079 0 CA-C-O 120.701 0.286 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.417 HD22 HD21 ' A' ' 61' ' ' LEU . 6.3 tt -56.41 -41.67 76.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.117 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.23 -56.97 15.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.483 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 27.8 m -63.79 -39.92 95.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.486 -178.214 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.419 ' O ' HG12 ' A' ' 123' ' ' ILE . 2.0 tm? -65.51 -51.35 60.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.729 0.3 . . . . 0.0 110.353 -176.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 27.3 ttt -69.07 -36.42 77.62 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.039 -177.617 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -63.61 -35.54 80.87 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.685 0.279 . . . . 0.0 111.222 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.0 t -66.42 -30.17 70.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.033 0.444 . . . . 0.0 110.512 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 119' ' ' LEU . 51.8 mm -79.36 -47.45 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 26.7 m -83.33 5.86 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.456 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 37.9 t70 . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 121.014 0.435 . . . . 0.0 110.407 178.893 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 CA--C 1.531 0.243 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.457 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 34.1 mmt180 -73.07 -31.63 64.51 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -177.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.594 HD22 ' CZ3' ' A' ' 19' ' ' TRP . 77.9 mt -68.99 -30.43 68.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.177 0.513 . . . . 0.0 109.956 177.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.499 HD22 ' HG3' ' A' ' 21' ' ' PRO . 77.2 mt -63.14 -43.37 98.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.745 173.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 m -69.69 -26.64 64.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.969 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -70.95 -24.78 62.49 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.598 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.47 27.14 4.54 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.205 173.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.594 ' CZ3' HD22 ' A' ' 14' ' ' LEU . 52.2 m0 -99.43 144.05 28.98 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.747 0.308 . . . . 0.0 110.694 177.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.421 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 56.6 tp60 -82.16 123.37 79.56 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.115 -174.264 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.499 ' HG3' HD22 ' A' ' 15' ' ' LEU . 2.8 Cg_exo -74.97 107.73 2.55 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.876 2.384 . . . . 0.0 111.062 175.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.8 m -109.65 156.19 10.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.33 0.586 . . . . 0.0 112.251 -174.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.445 ' HB2' HG22 ' A' ' 26' ' ' THR . 26.6 mt-10 -111.37 165.27 12.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.069 -0.969 . . . . 0.0 108.811 176.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.37 -27.81 68.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.099 0.476 . . . . 0.0 111.114 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.8 p -76.8 -58.45 3.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.219 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.445 HG22 ' HB2' ' A' ' 23' ' ' GLU . 10.0 t -76.21 -20.22 57.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.3 -173.529 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.2 p -59.77 -37.54 71.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 121.024 -0.271 . . . . 0.0 111.262 -176.626 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.68 -45.51 92.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.124 0.488 . . . . 0.0 110.335 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.91 -38.46 76.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.447 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -59.53 -48.7 80.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.689 177.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.1 mt -61.88 -43.13 96.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.421 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -60.2 -30.21 69.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.284 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 33' ' ' ARG . 20.2 ttt180 -80.39 -46.57 15.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.578 -176.153 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.4 m -82.64 -34.07 11.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.055 0.455 . . . . 0.0 111.283 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.54 -55.28 4.98 Favored Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 111.674 -0.571 . . . . 0.0 111.674 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -120.83 133.41 55.31 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -175.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.92 177.88 39.51 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.268 -0.968 . . . . 0.0 112.482 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 29.4 m -130.03 140.49 48.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.144 0.497 . . . . 0.0 110.927 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.535 HG13 ' HB3' ' A' ' 73' ' ' ALA . 3.4 mp -113.89 127.66 71.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.922 178.184 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.7 mt -102.9 130.16 49.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.695 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.0 mt -82.48 159.2 22.94 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.149 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 121.092 0.472 . . . . 0.0 110.31 -179.118 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.2 t . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 121.118 0.485 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 86.0 mtp -88.86 11.04 19.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.867 -174.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.4 tp -82.57 -14.67 12.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.174 0.511 . . . . 0.0 110.184 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.04 -52.52 14.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.146 -173.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -63.37 -28.63 70.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 111.44 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.499 HD11 ' SD ' ' A' ' 120' ' ' MET . 2.4 tm? -56.12 -56.59 18.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.805 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.73 -22.65 65.55 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.164 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -72.84 -11.64 60.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.575 0.226 . . . . 0.0 111.018 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -89.21 -12.48 40.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.87 0.367 . . . . 0.0 110.458 -175.304 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -117.68 76.81 10.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.351 . . . . 0.0 110.623 178.206 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -87.55 43.52 0.91 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.673 2.249 . . . . 0.0 112.004 -176.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -96.74 -41.57 8.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.065 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -117.57 178.89 4.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.047 -177.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -104.33 105.5 15.66 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 172.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 36.1 m95 -94.4 143.45 26.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.142 -175.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -118.05 156.71 28.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.127 171.008 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.2 t -117.67 125.67 74.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.041 0.448 . . . . 0.0 110.252 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.535 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -118.55 153.88 33.48 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.37 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.7 m -129.52 146.21 34.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.077 0.465 . . . . 0.0 111.806 -178.268 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.56 129.44 49.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.154 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.488 ' OD2' ' HG ' ' A' ' 77' ' ' LEU . 21.3 t70 -46.96 -84.9 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 O-C-N 124.002 0.814 . . . . 0.0 112.614 -176.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.488 ' HG ' ' OD2' ' A' ' 76' ' ' ASP . 4.0 pp -165.05 -41.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 173.702 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.403 ' N ' HD12 ' A' ' 77' ' ' LEU . 42.8 tt0 -68.98 -42.45 76.55 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 171.337 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -62.79 -32.83 74.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.532 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.7 m -61.37 -36.28 79.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.524 0.202 . . . . 0.0 111.091 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.46 -49.73 74.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.246 0.546 . . . . 0.0 110.189 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.93 69.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.424 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.7 mt -61.88 -45.46 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.144 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.407 ' HA2' HG12 ' A' ' 89' ' ' VAL . . . -60.81 -43.75 98.84 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.123 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -66.49 -42.25 87.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.921 0.391 . . . . 0.0 110.973 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.0 tpt85 -61.7 -38.47 87.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.835 -177.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -93.21 0.8 57.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.195 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 60.75 36.23 19.38 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.071 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.407 HG12 ' HA2' ' A' ' 84' ' ' GLY . 7.6 p -95.42 27.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.53 0.681 . . . . 0.0 110.342 -176.542 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.431 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 12.5 mmt85 66.5 -153.39 0.23 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.796 -177.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -127.19 56.69 1.51 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.915 0.388 . . . . 0.0 110.711 -177.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 90' ' ' ARG . 54.5 p90 -144.24 154.43 57.41 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 176.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -63.01 116.67 3.71 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.27 1.98 . . . . 0.0 112.467 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.56 144.81 32.1 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.639 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.421 ' HB ' ' HB3' ' A' ' 107' ' ' LEU . 17.0 m -76.85 126.65 31.34 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.255 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.3 mm? -91.33 123.86 35.09 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 176.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 47.0 t -102.44 105.37 17.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.474 -176.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.508 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 41.3 m-85 -107.9 137.73 45.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.336 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.4 133.76 17.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.653 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.3 t70 65.31 15.11 9.84 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.689 0.757 . . . . 0.0 110.72 -176.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.34 0.43 88.42 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.101 -177.168 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LYS . . . . . 0.562 ' HD3' ' N ' ' A' ' 103' ' ' LEU . 12.7 tmtt? -112.03 144.63 41.07 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -177.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.562 ' N ' ' HD3' ' A' ' 102' ' ' LYS . 58.0 tp -78.98 110.5 14.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.539 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -77.98 -38.34 45.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.501 178.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 170.42 -173.74 44.36 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.089 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -117.83 166.12 12.85 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.748 HD11 ' HG ' ' A' ' 116' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.557 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -177.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 . . . . . 0 N--CA 1.463 0.196 0 CA-C-O 121.074 0.464 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.748 ' HG ' HD11 ' A' ' 107' ' ' LEU . 6.5 tt -55.84 -45.59 78.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.734 -179.182 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.615 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 3.4 mm? -58.28 -46.44 86.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.575 -176.151 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.5 m -70.12 -39.36 75.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.324 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 119' ' ' LEU . 1.3 tm? -70.96 -50.81 30.46 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.876 0.37 . . . . 0.0 110.636 -176.536 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.499 ' SD ' HD11 ' A' ' 61' ' ' LEU . 28.3 ttt -70.08 -22.78 63.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.834 -177.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.615 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 39.2 ttt180 -55.56 -43.97 76.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.593 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 36.4 t -75.47 -29.92 59.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.72 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 47.7 mm -62.9 -48.31 88.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.966 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 35.6 m -95.33 13.92 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.695 -176.731 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.209 -176.546 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.726 0.298 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -61.79 -28.22 69.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.404 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.439 HD22 ' CZ3' ' A' ' 19' ' ' TRP . 69.3 mt -73.46 -45.83 51.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 176.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.36 -47.17 80.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.011 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.7 m -59.9 -25.74 65.34 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.108 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.489 ' HD2' ' CZ2' ' A' ' 19' ' ' TRP . 7.5 ttm180 -70.34 -11.88 61.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.372 -179.155 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.26 29.39 4.54 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.159 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.502 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 33.9 m0 -107.55 144.27 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.83 0.347 . . . . 0.0 110.773 -178.199 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -107.35 133.44 20.36 Favored Pre-proline 0 N--CA 1.448 -0.562 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -75.86 123.59 7.5 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.342 2.028 . . . . 0.0 111.476 174.576 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.1 m -111.08 158.19 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.196 0.522 . . . . 0.0 111.689 -177.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -114.78 168.95 9.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.621 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.411 ' HA ' HG12 ' A' ' 83' ' ' ILE . . . -65.98 -36.59 83.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.937 0.398 . . . . 0.0 111.033 -177.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.8 p -100.1 4.35 44.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.393 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.3 m -116.83 -20.14 9.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.828 0.347 . . . . 0.0 110.971 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 31' ' ' ILE . 11.4 p -61.56 -36.78 75.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.485 -176.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.423 ' HA ' HD12 ' A' ' 31' ' ' ILE . 7.4 p-10 -66.26 -29.31 69.52 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.076 0.465 . . . . 0.0 110.641 -178.54 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -74.55 -38.97 62.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.013 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -65.42 -43.31 90.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.347 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 27' ' ' VAL . 84.9 mt -56.28 -46.63 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.713 177.227 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.437 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -63.98 -27.59 69.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.092 178.712 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -44.06 25.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.921 -176.643 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.2 m -86.31 -42.72 15.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.65 -54.07 4.36 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.447 -176.106 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -124.94 141.25 52.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.89 -178.49 39.3 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.565 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.0 m -131.99 139.76 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.035 0.445 . . . . 0.0 110.933 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.448 ' HB ' ' HB2' ' A' ' 96' ' ' LEU . 3.3 mp -109.8 124.92 66.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.055 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.7 mt -101.49 121.57 42.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.492 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.2 mt -76.79 159.45 30.1 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.723 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.563 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 10.4 t . . . . . 0 C--N 1.329 -0.316 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 178.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.434 ' HA ' HH12 ' A' ' 17' ' ' ARG . 7.2 p . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 121.3 0.571 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 66.0 mtm -110.85 4.99 20.25 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.124 -175.128 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.1 tp -81.52 -20.49 10.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.039 0.447 . . . . 0.0 110.751 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.496 ' O ' ' HG ' ' A' ' 62' ' ' LEU . . . -69.28 -49.39 56.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.123 -176.4 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.456 ' CD ' ' H ' ' A' ' 60' ' ' GLU . 1.7 pm0 -59.81 -29.91 68.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.305 177.612 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.897 HD11 ' HG3' ' A' ' 120' ' ' MET . 2.4 tm? -69.31 -57.49 5.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.151 178.117 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 4.0 pp -61.98 -36.18 80.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.786 -175.323 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -73.96 2.61 8.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.729 -176.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -91.09 -13.94 32.17 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.519 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -115.23 82.72 9.39 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.897 -178.315 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -86.38 43.14 1.03 Allowed 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.726 2.284 . . . . 0.0 112.208 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -101.21 -44.72 5.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.597 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.475 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 4.2 m-85 -108.94 171.43 7.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.632 178.779 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -99.77 93.14 5.65 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 173.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.475 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 36.7 m95 -82.14 137.11 35.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.151 -174.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -121.52 148.22 44.76 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.345 170.138 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.502 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 28.3 t -108.22 131.57 58.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 120.922 0.391 . . . . 0.0 110.332 -178.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.447 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -114.82 147.69 39.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.123 177.388 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.0 m -118.7 137.38 52.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.982 0.42 . . . . 0.0 110.773 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.404 ' HB1' HD12 ' A' ' 83' ' ' ILE . . . -87.69 17.66 4.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.243 -178.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.2 t70 61.12 -107.44 0.29 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.669 178.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.563 ' HA ' ' HB2' ' A' ' 42' ' ' SER . 5.3 mp -148.71 -58.05 0.22 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 176.044 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -61.29 -50.31 73.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.342 -177.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -67.35 -23.75 65.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.987 -176.092 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.3 m -54.37 -39.95 67.68 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -175.141 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -68.88 -40.53 79.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.88 0.371 . . . . 0.0 110.329 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.54 -41.74 79.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.865 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.411 HG12 ' HA ' ' A' ' 24' ' ' ALA . 65.2 mt -67.14 -40.61 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.428 178.212 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.74 -38.15 95.99 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.919 -0.657 . . . . 0.0 111.524 174.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -63.29 -37.79 88.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.225 0.536 . . . . 0.0 110.602 175.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -67.38 -35.32 79.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.303 -177.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -98.68 -2.13 39.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.623 0.249 . . . . 0.0 111.221 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 66.5 27.64 9.68 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.159 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.9 t -128.43 112.68 27.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.635 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.426 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 13.4 ptt180 -156.32 -165.95 2.03 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.825 -0.171 . . . . 0.0 111.337 -175.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.426 ' HB3' ' O ' ' A' ' 90' ' ' ARG . 52.2 ttp180 74.62 -50.6 0.67 Allowed 'General case' 0 N--CA 1.47 0.527 0 O-C-N 124.037 0.836 . . . . 0.0 110.771 -177.309 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -114.54 123.78 31.7 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 175.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.66 122.48 11.83 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 122.512 2.142 . . . . 0.0 111.492 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -138.28 153.89 49.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.188 -173.112 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.6 m -84.36 126.74 33.5 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.195 175.492 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.448 ' HB2' ' HB ' ' A' ' 39' ' ' ILE . 3.6 mm? -92.35 124.56 36.5 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 173.705 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.532 HG11 HG21 ' A' ' 123' ' ' ILE . 28.0 t -102.72 117.52 48.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.092 0.472 . . . . 0.0 110.889 -175.124 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.401 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 23.9 m-85 -114.99 135.86 53.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.337 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.32 138.01 19.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.492 176.651 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 61.99 23.94 14.18 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.339 0.399 . . . . 0.0 110.643 -176.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.41 15.63 75.16 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.161 -175.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -118.6 144.96 45.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.868 0.366 . . . . 0.0 110.696 -178.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.401 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 58.8 tp -86.02 122.42 30.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.919 177.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -86.58 -31.55 21.14 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.031 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 147.75 -168.69 28.65 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.581 178.776 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.33 168.46 9.14 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 107' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.537 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 CA--C 1.524 -0.034 0 CA-C-O 120.865 0.364 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.93 -39.75 78.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.435 -177.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.94 -50.83 70.57 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.1 m -57.38 -50.17 73.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.143 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.16 -49.58 76.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.134 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.897 ' HG3' HD11 ' A' ' 61' ' ' LEU . 11.7 mmt -58.97 -39.87 83.06 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.416 ' HA ' HG22 ' A' ' 124' ' ' VAL . 25.1 mmt180 -64.33 -39.97 94.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.059 0.457 . . . . 0.0 111.007 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.7 t -65.36 -30.4 71.23 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.648 176.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.532 HG21 HG11 ' A' ' 97' ' ' VAL . 81.5 mt -78.07 -47.21 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.373 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' A' ' 121' ' ' ARG . 32.9 m -75.1 0.16 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.018 0.437 . . . . 0.0 111.329 -178.702 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 35.9 t70 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.597 175.139 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 . . . . . 0 N--CA 1.465 0.308 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.69 ' HG3' HD22 ' A' ' 14' ' ' LEU . 26.2 ptt180 -58.69 -29.57 66.74 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.503 0.192 . . . . 0.0 111.404 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.69 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.2 mm? -74.36 -32.71 62.87 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.109 0.481 . . . . 0.0 110.203 178.378 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.44 ' HA ' ' O ' ' A' ' 19' ' ' TRP . 20.7 mt -69.28 -35.28 75.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.954 -177.194 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.7 m -61.86 -25.32 67.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.453 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -76.43 -4.36 42.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.943 0.401 . . . . 0.0 110.801 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.91 10.58 39.71 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.932 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.56 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 42.2 m0 -96.54 131.82 42.77 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.855 0.359 . . . . 0.0 110.502 -177.388 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -80.79 134.67 53.19 Favored Pre-proline 0 N--CA 1.449 -0.505 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.397 -175.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -79.31 100.98 1.37 Allowed 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.559 2.173 . . . . 0.0 111.557 176.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.0 m -99.78 163.44 2.85 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.821 0 CA-C-O 121.963 0.887 . . . . 0.0 111.797 -177.412 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.35 -164.17 1.0 Allowed 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 114.091 -1.413 . . . . 0.0 109.986 -172.683 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.11 -29.98 20.2 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.272 0.558 . . . . 0.0 110.099 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.0 t -95.65 -49.86 5.19 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.094 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.8 p -71.64 -13.75 61.85 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -173.424 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.16 -30.47 48.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 120.777 0.322 . . . . 0.0 110.74 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -67.96 -45.93 72.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.127 0.489 . . . . 0.0 109.889 -179.034 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.2 -37.03 77.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.545 -178.353 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.422 ' O ' HG22 ' A' ' 34' ' ' VAL . 90.5 t90 -55.97 -49.8 72.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.673 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.0 mt -60.1 -45.5 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.636 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -58.39 -37.25 74.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.027 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.2 ttt-85 -75.61 -46.12 33.55 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.57 -173.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 30' ' ' TRP . 33.3 m -85.73 -37.06 11.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.019 -174.02 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.73 -53.67 4.73 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.049 -0.596 . . . . 0.0 111.903 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -115.43 123.7 49.27 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -178.481 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.18 173.49 41.88 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.479 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 13.6 m -132.58 139.58 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.963 0.411 . . . . 0.0 110.998 -179.148 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.6 mp -104.47 125.46 59.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.905 177.582 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.486 ' HB2' HG12 ' A' ' 74' ' ' VAL . 23.5 mt -102.12 128.2 48.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.416 176.882 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.4 mt -81.44 154.1 26.55 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 173.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.423 ' CB ' ' HA ' ' A' ' 77' ' ' LEU . 48.3 t . . . . . 0 C--N 1.324 -0.54 0 O-C-N 123.481 0.488 . . . . 0.0 110.687 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.3 t . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 121.456 0.646 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.3 tpt -80.92 -23.48 38.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.144 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.1 tt -67.0 -18.8 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.095 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.31 -46.21 91.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.988 0.423 . . . . 0.0 110.433 177.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -64.16 -30.88 71.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.46 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.411 HD21 HD22 ' A' ' 116' ' ' LEU . 0.8 OUTLIER -59.38 -57.36 13.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.222 0.534 . . . . 0.0 110.035 179.5 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.6 mt -68.39 -27.38 66.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.739 -176.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -67.87 -13.24 61.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.601 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -82.71 -9.55 59.31 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -117.75 81.42 15.11 Favored Pre-proline 0 N--CA 1.452 -0.327 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.0 176.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -83.79 13.71 2.61 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.973 2.448 . . . . 0.0 112.037 -177.33 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -67.32 -43.13 82.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.113 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.72 166.91 15.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.739 -178.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -92.75 100.48 12.96 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 168.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -76.33 148.85 37.18 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.54 -172.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -123.3 133.28 54.17 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.138 175.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.56 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 17.0 t -104.43 126.03 59.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.231 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.77 134.7 54.16 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.067 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.486 HG12 ' HB2' ' A' ' 40' ' ' LEU . 6.2 m -118.63 149.71 21.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.666 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 79' ' ' GLN . . . -119.84 146.55 45.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.917 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.32 160.34 5.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.708 175.04 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.463 ' H ' HD23 ' A' ' 77' ' ' LEU . 2.6 pt? -58.94 -33.59 70.79 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.936 -0.305 . . . . 0.0 111.387 -174.674 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -77.55 -44.1 29.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.129 0.49 . . . . 0.0 109.993 176.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.492 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -56.5 -36.26 68.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.04 178.494 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.7 m -61.49 -35.62 78.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.343 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -69.66 -40.35 76.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.148 0.499 . . . . 0.0 109.693 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.59 -45.94 74.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.16 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.84 -37.29 79.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.992 0.425 . . . . 0.0 110.45 177.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.4 -31.33 76.96 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.799 175.551 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.07 -47.31 25.09 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 175.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -52.01 -39.55 59.64 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.229 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -102.84 -9.58 19.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.692 0.282 . . . . 0.0 110.715 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 55.69 62.01 2.59 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 122.127 0.965 . . . . 0.0 111.224 -174.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.455 HG21 HD11 ' A' ' 96' ' ' LEU . 12.0 t -125.0 17.82 4.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 114.251 -1.34 . . . . 0.0 108.159 176.025 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.4 ttm-85 -73.72 81.74 1.58 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.129 -175.411 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -141.56 -45.17 0.36 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.077 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.459 ' HB2' ' HD2' ' A' ' 93' ' ' PRO . 46.3 p90 -154.65 163.89 22.79 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.268 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 92' ' ' PHE . 23.5 Cg_endo -61.61 127.76 22.63 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.398 2.066 . . . . 0.0 111.401 175.246 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -153.51 156.19 37.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.961 0.41 . . . . 0.0 111.029 -173.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.8 m -99.75 132.74 44.9 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.282 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.455 HD11 HG21 ' A' ' 89' ' ' VAL . 3.4 mm? -91.53 124.51 35.75 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.09 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.5 t -98.68 103.02 14.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.032 -175.043 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 16.6 m-85 -106.95 127.23 53.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.868 178.194 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.0 p -140.58 133.08 28.57 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.57 -178.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.3 t70 62.0 24.04 14.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.341 0.591 . . . . 0.0 110.481 -179.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.29 -3.12 82.79 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.769 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -113.82 150.04 34.1 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 122.323 -0.516 . . . . 0.0 111.714 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.42 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 58.2 tp -85.78 130.05 34.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.844 178.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -99.02 -29.4 12.92 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.28 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 156.9 -159.22 29.44 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.984 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -107.68 171.13 7.56 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 107' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.072 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--O 1.228 -0.051 0 CA-C-O 121.72 0.771 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.711 ' O ' ' HG2' ' A' ' 120' ' ' MET . 4.3 mt -66.59 -37.43 84.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.6 -1.182 . . . . 0.0 112.411 -175.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 96.5 mt -49.82 -50.46 45.1 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -168.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.7 m -85.34 -40.07 16.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.884 0.373 . . . . 0.0 111.166 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.401 ' O ' HG13 ' A' ' 123' ' ' ILE . 0.5 OUTLIER -64.47 -50.56 67.0 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.519 -171.782 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.711 ' HG2' ' O ' ' A' ' 116' ' ' LEU . 27.3 ptt? -73.05 -30.32 63.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.941 0.4 . . . . 0.0 110.622 -175.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -74.12 -36.77 64.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.29 -175.289 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.1 t -63.86 -30.76 71.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.831 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 119' ' ' LEU . 68.3 mt -60.93 -41.47 89.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.046 0.451 . . . . 0.0 110.965 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 28.1 m -104.32 11.5 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.014 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 37.8 t70 . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 121.363 0.601 . . . . 0.0 110.22 179.625 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 . . . . . 0 CA--C 1.532 0.261 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.656 ' HG3' HD22 ' A' ' 14' ' ' LEU . 20.0 ptt180 -59.7 -30.61 68.91 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 111.709 0.262 . . . . 0.0 111.709 -177.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.656 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.0 mm? -72.41 -40.2 67.36 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.227 0.536 . . . . 0.0 110.052 178.085 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.0 mt -66.67 -32.82 74.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.746 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.6 m -67.23 -25.77 66.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.643 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -77.88 0.48 23.9 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.297 0.57 . . . . 0.0 110.442 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.92 31.83 9.6 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.632 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.1 m0 -104.22 134.85 46.76 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -90.0 130.81 41.12 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.222 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 75.1 Cg_endo -81.27 113.85 2.72 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.375 2.05 . . . . 0.0 111.323 172.626 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.9 m -102.53 154.57 5.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.147 0.498 . . . . 0.0 111.636 -176.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.441 ' HB2' ' HB ' ' A' ' 26' ' ' THR . 44.8 mt-10 -104.09 174.11 6.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.459 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.85 -36.32 70.12 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.34 177.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.2 p -101.91 12.74 36.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.238 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.441 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 12.8 m -129.14 -17.83 3.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.842 0.354 . . . . 0.0 111.315 -178.572 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.433 ' O ' HG13 ' A' ' 31' ' ' ILE . 14.0 p -64.17 -32.31 56.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.648 0.261 . . . . 0.0 110.981 -178.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -62.11 -47.09 86.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.545 -177.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.76 -39.6 92.18 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.056 0.455 . . . . 0.0 110.424 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 53.3 t90 -64.05 -50.94 66.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.059 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 27' ' ' VAL . 91.9 mt -57.98 -47.33 86.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.557 -177.6 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -25.3 63.74 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.517 -176.179 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 33' ' ' ARG . 21.3 ttt180 -81.63 -46.59 14.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.994 0.426 . . . . 0.0 111.218 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.2 m -74.55 -35.51 38.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.063 -177.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.9 -52.61 4.49 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.175 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -125.48 136.33 53.25 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -175.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.22 -177.54 40.58 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.293 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 23.2 m -135.39 138.54 48.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.024 0.44 . . . . 0.0 111.019 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.537 HG13 ' HB3' ' A' ' 73' ' ' ALA . 2.4 mp -108.86 126.83 65.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.448 176.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.491 ' HB2' HG12 ' A' ' 74' ' ' VAL . 87.1 mt -96.15 125.65 40.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.043 177.139 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.9 mt -81.39 156.11 25.58 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.485 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.547 -0.168 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 65.6 mtm 73.48 -33.7 0.27 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.543 0.737 . . . . 0.0 112.339 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.408 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 11.3 tp -59.14 -32.53 48.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.732 -176.391 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.81 -45.54 24.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.911 0.386 . . . . 0.0 111.625 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.37 -30.3 67.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.407 -177.104 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.51 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 2.1 tm? -57.99 -51.72 68.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.312 0.577 . . . . 0.0 109.853 177.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 85.0 mt -57.08 -31.63 65.43 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.999 -1.001 . . . . 0.0 112.023 -178.022 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 -75.46 2.35 11.75 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -172.635 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 61' ' ' LEU . 5.1 pt-20 -88.67 -4.26 58.59 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.787 174.103 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -110.42 82.52 2.79 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 175.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.468 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 97.1 Cg_endo -86.39 11.37 3.32 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.851 2.367 . . . . 0.0 113.414 -170.024 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -70.49 -47.18 61.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.901 0.381 . . . . 0.0 111.795 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -135.59 163.65 29.62 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.535 -176.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -83.28 113.07 20.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.612 -173.054 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -86.97 141.56 28.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.39 176.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -129.42 142.87 50.69 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.139 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.8 t -108.42 132.37 56.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.011 0.434 . . . . 0.0 110.596 -176.845 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.537 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -125.58 148.44 48.93 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.42 177.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.491 HG12 ' HB2' ' A' ' 40' ' ' LEU . 18.2 m -127.56 166.84 23.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.085 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -142.51 153.93 44.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.003 0.43 . . . . 0.0 111.376 -178.79 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -67.72 170.24 8.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.093 175.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.409 ' H ' HD12 ' A' ' 77' ' ' LEU . 7.5 mp -52.87 -53.06 54.4 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 122.375 0.27 . . . . 0.0 111.253 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 79' ' ' GLN . 6.3 pt-20 -69.94 -36.21 75.13 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.043 0.449 . . . . 0.0 110.762 -177.421 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.481 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 97.6 mt-30 -63.94 -43.83 94.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.11 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.4 m -65.42 -33.24 75.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.639 177.434 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -65.43 -51.84 57.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.342 177.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.86 -47.22 81.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.473 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 87.4 mt -66.08 -49.56 75.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.141 0.496 . . . . 0.0 110.59 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -58.85 -41.06 95.92 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.454 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.54 -37.78 87.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 111.08 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -62.57 -35.45 79.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.581 178.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -95.97 2.89 53.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.729 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 66.23 19.93 11.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.923 177.623 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.6 t -123.56 78.85 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.244 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -136.81 11.69 3.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.662 171.091 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -87.38 -20.82 26.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.342 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -151.21 142.52 15.4 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.546 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.4 134.08 40.2 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.693 2.262 . . . . 0.0 111.76 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -158.84 145.92 17.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.456 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.452 ' HB ' ' HB3' ' A' ' 107' ' ' LEU . 15.2 m -79.71 131.2 35.88 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.414 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.3 mm? -91.34 124.1 35.28 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.3 t -95.97 106.79 18.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.447 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -108.15 134.15 51.41 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.009 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -154.94 138.8 16.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.355 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.9 t70 65.82 14.84 9.78 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.566 0.698 . . . . 0.0 110.24 -178.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.75 2.36 90.64 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.389 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -111.17 157.73 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.389 . . . . 0.0 111.28 -178.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 60.9 tp -89.51 124.9 34.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.778 175.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -93.05 -25.13 18.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.989 0.424 . . . . 0.0 110.715 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 152.7 -166.86 31.44 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.194 178.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.58 145.36 41.37 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.452 ' HB3' ' HB ' ' A' ' 95' ' ' THR . 1.1 tm? . . . . . 0 C--N 1.322 -0.608 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 -176.432 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.462 0.154 0 CA-C-O 121.143 0.497 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.8 tt -59.46 -41.27 89.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.78 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.451 HD22 ' H ' ' A' ' 117' ' ' LEU . 3.1 mm? -55.83 -47.88 76.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.385 -175.6 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.9 m -62.56 -46.76 86.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.935 0.398 . . . . 0.0 111.315 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.561 ' O ' HG13 ' A' ' 123' ' ' ILE . 4.3 mm? -71.4 -49.82 38.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.472 -176.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.456 ' HA ' HD12 ' A' ' 123' ' ' ILE . 17.0 tpt -58.89 -41.01 86.15 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.904 0.383 . . . . 0.0 111.158 -178.145 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 121' ' ' ARG . 17.5 ttt85 -67.38 -30.53 70.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.335 0.588 . . . . 0.0 110.521 -178.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.0 t -75.27 -29.68 60.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.66 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 119' ' ' LEU . 78.3 mt -61.78 -38.18 79.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.255 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.3 m -81.9 35.99 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-O 121.243 0.544 . . . . 0.0 111.267 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 24.1 t70 . . . . . 0 N--CA 1.469 0.505 0 CA-C-N 115.382 -0.827 . . . . 0.0 111.485 179.943 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -53.0 -38.8 62.59 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 122.671 0.388 . . . . 0.0 111.627 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.624 HD23 HG11 ' A' ' 74' ' ' VAL . 7.7 mp -66.35 -36.16 82.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.99 0.424 . . . . 0.0 110.156 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.2 mt -75.45 -30.26 59.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.593 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.6 m -67.13 -33.88 76.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.011 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -81.46 172.39 13.57 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.3 45.01 2.51 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.953 -0.642 . . . . 0.0 113.434 -175.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.497 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 51.7 m0 -105.51 138.35 41.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.964 0.412 . . . . 0.0 111.254 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.438 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 2.3 mp0 -97.72 135.44 21.59 Favored Pre-proline 0 N--CA 1.449 -0.518 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.256 177.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 1.7 Cg_endo -81.45 118.22 3.19 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.61 2.206 . . . . 0.0 111.098 175.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.4 m -108.95 155.64 9.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.271 0.558 . . . . 0.0 111.88 -176.297 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.473 ' HB2' HG22 ' A' ' 26' ' ' THR . 43.8 mt-10 -117.96 168.35 10.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.567 177.199 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.16 -24.76 67.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.954 0.406 . . . . 0.0 111.301 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 p -91.11 -13.02 33.84 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -176.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.473 HG22 ' HB2' ' A' ' 23' ' ' GLU . 14.2 t -126.06 -6.73 6.62 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.565 -0.454 . . . . 0.0 112.124 -177.553 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -61.91 -39.2 82.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.601 0.239 . . . . 0.0 111.211 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -68.61 -28.7 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.846 -177.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -76.93 -43.06 36.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.563 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' TRP . . . . . 0.444 ' O ' HG22 ' A' ' 34' ' ' VAL . 92.2 t90 -56.67 -46.83 80.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.089 178.017 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.463 HD13 ' CE1' ' A' ' 98' ' ' PHE . 63.8 mt -61.47 -41.51 90.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.716 178.643 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -57.72 -39.95 78.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.501 0.667 . . . . 0.0 111.039 175.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -78.98 -35.87 42.32 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.356 -171.251 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.562 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 26.8 m -86.41 -45.48 16.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.525 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.99 -61.82 0.59 Allowed Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.006 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -127.52 137.01 52.52 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -175.202 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 168.84 -171.59 42.91 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.054 -1.07 . . . . 0.0 112.893 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.491 HG23 HG13 ' A' ' 72' ' ' VAL . 15.3 m -136.55 138.68 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.979 0.418 . . . . 0.0 111.005 -178.314 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.52 HG13 ' HB3' ' A' ' 73' ' ' ALA . 2.0 mp -109.92 128.2 66.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.88 178.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.485 ' HB2' HG12 ' A' ' 74' ' ' VAL . 97.6 mt -96.93 132.89 42.26 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.249 178.328 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.0 mt -94.72 156.73 16.27 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.1 t . . . . . 0 C--N 1.32 -0.685 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 175.28 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.474 ' C ' ' H ' ' A' ' 58' ' ' ILE . 29.2 m . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 67.7 mtm 71.57 -21.84 0.21 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.052 0.541 . . . . 0.0 111.615 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.474 ' H ' ' C ' ' A' ' 56' ' ' VAL . 9.7 tp -62.35 -24.41 34.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.192 0.52 . . . . 0.0 110.534 177.326 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.73 -26.21 54.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.763 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.72 -29.07 68.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.818 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -52.4 -43.12 64.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.767 179.751 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.7 -17.24 13.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.415 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.445 ' HD3' HH11 ' A' ' 63' ' ' ARG . 30.9 mmt180 -77.68 -21.29 52.3 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.29 -0.256 . . . . 0.0 110.879 178.72 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.791 ' HB3' HD11 ' A' ' 117' ' ' LEU . 8.7 mm-40 -86.96 -29.23 22.19 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 120.935 0.398 . . . . 0.0 110.798 -172.726 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -121.27 77.66 34.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.643 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -81.82 9.63 3.85 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.345 2.697 . . . . 0.0 112.201 -177.847 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -65.23 -44.79 87.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.217 176.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.449 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 4.5 m-85 -108.02 156.52 19.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.116 177.834 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -97.64 93.53 6.46 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 169.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.449 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 18.5 m95 -78.36 143.6 36.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.832 -170.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.562 ' OE1' ' HB ' ' A' ' 34' ' ' VAL . 28.0 mp0 -111.39 139.84 46.47 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 168.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.497 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 21.2 t -109.04 135.11 48.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.47 -177.428 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.52 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -129.18 154.57 46.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.605 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.624 HG11 HD23 ' A' ' 14' ' ' LEU . 11.7 m -125.69 147.58 30.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.468 178.534 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.36 141.25 28.65 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.724 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.529 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 3.2 t70 -57.01 152.34 13.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.288 174.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.4 mt -51.68 -43.23 62.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.778 0.323 . . . . 0.0 111.522 -176.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -78.72 -50.45 11.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.12 0.486 . . . . 0.0 110.443 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.529 ' HB2' ' HB3' ' A' ' 76' ' ' ASP . 19.2 mm-40 -62.89 -25.81 68.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.435 -175.651 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.2 t -59.04 -35.81 73.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.59 0.233 . . . . 0.0 111.406 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.02 -43.11 79.54 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.33 -39.36 81.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.212 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.9 mt -66.39 -39.32 83.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 120.757 0.313 . . . . 0.0 110.85 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.96 -43.59 97.99 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.564 176.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.13 -40.88 95.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.281 0.562 . . . . 0.0 110.75 175.846 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -55.54 -41.6 73.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.969 -176.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -102.28 -1.38 31.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.125 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 56.12 49.98 14.47 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.27 0.557 . . . . 0.0 110.514 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.9 p -69.99 150.56 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.59 -177.66 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -70.64 140.76 51.66 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 56.6 mtt180 -58.54 164.98 2.35 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -176.239 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.462 ' HB2' ' O ' ' A' ' 91' ' ' ARG . 88.9 m-85 77.96 151.91 0.13 Allowed Pre-proline 0 N--CA 1.47 0.546 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.437 -174.487 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -45.67 121.92 4.49 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.582 2.854 . . . . 0.0 112.356 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -140.68 143.98 35.39 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 121.427 0.632 . . . . 0.0 111.419 -171.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.3 m -101.08 131.3 47.06 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.987 173.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.8 mm? -91.19 124.3 35.29 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.486 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.407 ' CG2' HD23 ' A' ' 107' ' ' LEU . 44.8 t -97.22 114.16 33.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.852 -177.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.469 ' CD2' HD13 ' A' ' 39' ' ' ILE . 50.8 m-85 -112.05 140.8 46.43 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.261 0.553 . . . . 0.0 110.846 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.605 ' HB ' HH11 ' A' ' 104' ' ' ARG . 1.3 m -153.1 148.55 27.12 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -177.25 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.41 16.02 3.86 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 123.558 0.743 . . . . 0.0 112.337 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.86 -8.97 79.05 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.579 -175.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -120.25 178.06 4.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.209 0.504 . . . . 0.0 111.675 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.409 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 37.6 tp -83.41 129.09 34.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.985 0.422 . . . . 0.0 110.965 -176.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.605 HH11 ' HB ' ' A' ' 99' ' ' THR . 0.2 OUTLIER -91.76 -48.96 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.674 178.245 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 175.71 -164.03 34.04 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.812 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.67 147.68 52.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.733 0.301 . . . . 0.0 110.668 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.424 HD21 ' HG3' ' A' ' 120' ' ' MET . 1.8 mm? . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.435 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 . . . . . 0 CA--C 1.521 -0.162 0 CA-C-O 121.101 0.477 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.1 tt -58.12 -40.82 82.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.697 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.791 HD11 ' HB3' ' A' ' 64' ' ' GLU . 4.6 mm? -62.1 -28.94 69.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.485 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.0 m -82.73 -45.77 14.0 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.946 0.403 . . . . 0.0 110.54 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -70.21 -49.9 45.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.277 -174.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.424 ' HG3' HD21 ' A' ' 107' ' ' LEU . 28.1 ttt -72.52 -24.6 61.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 -173.735 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 9.6 ttt180 -68.81 -28.02 66.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.549 -178.13 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 36.2 m -61.14 -29.85 70.02 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.132 176.127 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.44 HG22 ' CG ' ' A' ' 104' ' ' ARG . 47.4 mt -80.06 -49.28 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.24 0.543 . . . . 0.0 110.559 177.705 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.2 m -91.83 35.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.17 -177.468 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.3 t70 . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.094 -178.699 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 . . . . . 0 N--CA 1.468 0.427 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.742 ' HG3' HD22 ' A' ' 14' ' ' LEU . 22.7 ptt180 -55.3 -31.11 61.38 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -175.563 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.742 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.2 mm? -72.96 -41.76 64.07 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.179 0.514 . . . . 0.0 109.678 178.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.433 HD22 ' HG3' ' A' ' 21' ' ' PRO . 86.6 mt -67.75 -26.05 65.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.535 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -60.2 -38.4 83.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.868 177.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -75.52 -33.59 60.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.086 0.469 . . . . 0.0 109.973 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 141.59 -130.08 4.25 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.39 176.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.6 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 38.8 m0 67.28 154.56 0.1 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.682 0.753 . . . . 0.0 112.1 -178.443 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.44 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 2.1 mp0 -90.59 120.89 68.85 Favored Pre-proline 0 N--CA 1.442 -0.859 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.385 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 4.5 Cg_exo -78.56 105.77 2.02 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.54 2.16 . . . . 0.0 111.012 175.251 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.5 m -101.73 -173.63 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.953 -177.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -132.35 179.92 5.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.081 -178.428 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ALA . . . . . 0.522 ' HA ' HG12 ' A' ' 83' ' ' ILE . . . -63.5 -48.64 76.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.006 0.431 . . . . 0.0 111.389 -177.676 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.4 m -88.17 -32.05 18.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.819 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 m -70.09 -26.39 63.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.844 -176.139 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 31' ' ' ILE . 11.7 p -63.61 -34.0 65.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.616 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.51 -42.29 96.11 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.316 0.579 . . . . 0.0 110.224 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.533 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 12.4 t70 -69.85 -40.48 75.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.401 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -60.81 -47.06 88.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.536 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 27' ' ' VAL . 95.8 mt -56.44 -50.63 71.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.606 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.533 ' HE3' ' HA ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -67.6 -20.17 65.33 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.946 -175.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.8 ttt85 -81.71 -48.25 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.554 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.6 m -76.29 -36.42 29.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.552 -174.611 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.18 -50.12 3.36 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 121.324 -0.465 . . . . 0.0 112.16 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -122.07 125.89 47.23 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -177.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.34 174.52 41.2 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.164 -1.017 . . . . 0.0 112.885 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 11.6 m -133.4 133.98 57.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.141 0.496 . . . . 0.0 110.782 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.438 ' HB ' ' HB2' ' A' ' 96' ' ' LEU . 3.8 mp -103.81 125.59 58.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.013 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.508 ' HB2' HG12 ' A' ' 74' ' ' VAL . 51.8 mt -99.47 114.42 27.36 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 175.189 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.1 mt -70.42 147.72 49.18 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.51 ' HB2' ' O ' ' A' ' 75' ' ' ALA . 33.4 t . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.73 -177.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.8 p . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 121.419 0.628 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 78.0 mtp -95.17 7.14 47.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.391 -175.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.45 HG21 HD11 ' A' ' 40' ' ' LEU . 9.4 tp -76.67 -18.51 14.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.646 -177.739 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.51 -52.52 38.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.472 -176.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -68.6 -29.17 67.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.96 0.41 . . . . 0.0 110.537 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.781 HD21 HD22 ' A' ' 116' ' ' LEU . 2.4 tm? -70.33 -55.69 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.542 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.4 tp -55.91 -36.88 68.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.284 -174.847 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -74.5 14.35 0.48 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -176.661 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.72 -18.19 30.02 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 173.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -121.74 62.85 14.23 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.139 -176.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -84.23 43.3 1.33 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.213 1.942 . . . . 0.0 112.251 -175.098 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -82.59 -38.45 23.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.234 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.22 177.64 5.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.561 -175.797 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -90.38 89.98 7.84 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 173.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.403 ' CE3' HG13 ' A' ' 38' ' ' VAL . 78.5 m95 -75.64 141.2 42.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.434 0.635 . . . . 0.0 110.616 -179.478 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -126.75 136.34 52.29 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.665 178.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.6 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 17.0 t -105.25 129.41 58.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.058 0.456 . . . . 0.0 110.582 -176.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.02 151.61 46.87 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.832 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.508 HG12 ' HB2' ' A' ' 40' ' ' LEU . 14.4 m -129.44 161.74 38.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.06 178.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 42' ' ' SER . . . -132.29 165.08 25.0 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 121.186 -0.206 . . . . 0.0 110.906 -177.586 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.502 ' HB3' ' HG2' ' A' ' 79' ' ' GLN . 18.4 t70 -63.87 157.29 25.07 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.512 0.508 . . . . 0.0 110.84 -178.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.459 ' H ' HD12 ' A' ' 77' ' ' LEU . 7.3 mp -51.13 -57.03 9.77 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -171.282 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -77.05 -40.93 44.45 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -172.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.537 ' O ' HG13 ' A' ' 83' ' ' ILE . 3.7 pt20 -65.64 -29.46 70.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.628 0.251 . . . . 0.0 111.013 -176.007 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.1 m -52.82 -33.11 47.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.757 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -69.48 -41.29 76.33 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.32 -29.24 62.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.16 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 79' ' ' GLN . 69.2 mt -63.98 -36.12 75.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.039 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.19 -33.68 86.71 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.592 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -74.77 -34.33 62.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.873 0.368 . . . . 0.0 110.182 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -56.2 -43.49 78.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.92 175.542 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.457 ' HB2' HG23 ' A' ' 89' ' ' VAL . 25.8 m-85 -83.49 -1.1 52.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.782 179.112 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 64.05 38.63 8.38 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.697 178.328 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.559 HG12 ' H ' ' A' ' 90' ' ' ARG . 10.4 t -88.36 173.03 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.113 178.624 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.582 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 53.4 mmm-85 -70.76 7.03 1.23 Allowed 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 62.92 89.04 0.09 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 122.892 0.477 . . . . 0.0 111.438 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 90' ' ' ARG . 52.2 p90 -170.71 155.44 4.77 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -59.74 118.13 4.97 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.507 2.138 . . . . 0.0 112.015 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -160.63 158.97 29.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.093 -174.513 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.4 m -89.82 131.12 35.93 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.517 175.218 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.494 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.4 mm? -91.35 125.39 36.09 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.013 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.7 t -99.94 112.39 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.973 -175.475 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.466 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 34.4 m-85 -121.34 131.49 54.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.196 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 60.6 p -141.34 130.98 24.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.881 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 t70 63.4 19.36 11.64 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.359 0.599 . . . . 0.0 111.065 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.9 6.0 89.32 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.005 -177.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -107.24 142.3 37.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.825 0.345 . . . . 0.0 110.623 -177.771 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.466 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 48.7 tp -80.02 122.48 26.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.406 178.514 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -99.9 -34.22 10.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.885 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 146.08 -166.94 27.92 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.449 176.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -110.81 158.8 18.28 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.7 tm? . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -176.805 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 N--CA 1.467 0.381 0 CA-C-O 120.633 0.254 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.781 HD22 HD21 ' A' ' 61' ' ' LEU . 9.5 tt -53.88 -45.3 71.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.134 175.731 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.42 HD22 ' N ' ' A' ' 117' ' ' LEU . 3.3 mm? -65.72 -42.91 90.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.319 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.7 m -59.73 -48.15 82.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.023 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 119' ' ' LEU . 4.3 mm? -71.68 -48.89 44.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.293 -179.061 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -59.15 -39.44 82.43 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.004 -177.382 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -61.29 -36.84 81.15 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.5 t -68.94 -30.86 69.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.136 0.493 . . . . 0.0 109.955 176.843 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 48.8 mm -65.87 -38.79 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.333 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 28.2 m -99.18 20.15 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.374 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 23.2 t70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.343 0.592 . . . . 0.0 110.342 179.607 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 . . . . . 0 CA--C 1.531 0.241 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.427 ' HG3' HD22 ' A' ' 14' ' ' LEU . 35.8 ptt180 -66.04 -28.49 68.89 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.8 -174.555 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 14' ' ' LEU . 4.2 mm? -71.2 -38.49 72.05 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 176.188 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.21 -35.53 81.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.839 174.349 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.9 m -68.37 -27.14 65.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.213 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -70.06 -26.44 64.01 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.794 0.331 . . . . 0.0 110.362 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.32 20.78 5.77 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.405 -0.903 . . . . 0.0 112.642 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 37.2 m0 -83.04 136.33 34.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.836 0.35 . . . . 0.0 110.346 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 -89.9 120.1 69.37 Favored Pre-proline 0 N--CA 1.448 -0.562 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.608 -177.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 57.0 Cg_endo -74.56 105.4 2.05 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 122.15 1.9 . . . . 0.0 110.373 170.588 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.497 HG13 ' HB1' ' A' ' 73' ' ' ALA . 9.1 m -84.78 160.81 3.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.455 0.645 . . . . 0.0 111.471 -175.475 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.647 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 36.7 mt-10 -115.17 -175.59 2.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.64 -178.144 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.18 -50.26 6.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.906 0.384 . . . . 0.0 111.307 -175.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.4 t -76.83 -36.37 56.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.883 -173.415 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.4 t -105.9 19.48 20.46 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.152 -0.343 . . . . 0.0 111.859 -174.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.647 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 12.7 p -65.09 -39.26 85.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 120.674 0.273 . . . . 0.0 111.241 -179.294 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.503 ' HA ' HD12 ' A' ' 31' ' ' ILE . 4.7 p-10 -75.14 -23.52 57.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.533 0.206 . . . . 0.0 110.76 -176.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -66.59 -43.6 84.44 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -60.28 -45.19 94.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.04 176.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' A' ' 28' ' ' ASP . 76.2 mt -59.23 -43.43 89.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.822 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.478 ' HD2' ' O ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -66.04 -32.08 73.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.181 0.515 . . . . 0.0 110.234 178.749 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.35 -45.61 38.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.906 -175.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.6 m -86.13 -31.59 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.965 0.412 . . . . 0.0 111.684 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.55 -54.65 4.84 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 121.127 -0.559 . . . . 0.0 111.926 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -126.26 129.11 48.27 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.673 0.273 . . . . 0.0 110.267 -176.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.95 176.0 42.89 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.336 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.2 m -132.06 144.14 38.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.739 0.304 . . . . 0.0 111.189 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.3 mp -110.64 126.48 67.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.83 176.379 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.545 ' HB2' HG12 ' A' ' 74' ' ' VAL . 80.4 mt -96.88 129.7 44.28 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.691 177.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 93' ' ' PRO . 92.5 mt -96.74 160.87 14.14 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 174.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.1 t . . . . . 0 C--N 1.332 -0.165 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.955 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 57' ' ' MET . 34.4 m . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.45 ' HA ' ' OE1' ' A' ' 60' ' ' GLU . 87.8 mtp 71.4 6.5 5.78 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.281 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.494 HD12 HD13 ' A' ' 61' ' ' LEU . 9.3 tp -76.84 -16.13 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.057 0.456 . . . . 0.0 109.845 176.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.53 -53.51 11.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.87 -178.447 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.593 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 1.5 pm0 -64.93 -30.45 71.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.096 0.475 . . . . 0.0 110.302 176.108 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.638 HD21 HD21 ' A' ' 116' ' ' LEU . 7.1 tt -64.28 -55.09 23.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.705 175.24 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.3 tp -60.05 -39.32 85.53 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.921 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.593 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 5.3 ptp180 -75.14 15.13 0.45 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.886 0.374 . . . . 0.0 111.656 -176.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.481 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 38.1 mm-40 -74.64 -12.27 60.4 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 172.8 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -114.64 80.64 6.45 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.485 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 5.9 Cg_exo -74.41 -6.96 19.08 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.817 2.344 . . . . 0.0 111.603 178.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -54.8 -48.53 72.64 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.64 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.472 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 5.6 m-85 -108.71 -174.35 2.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.881 178.023 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -127.72 106.25 9.01 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 173.05 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.472 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 11.2 m95 -96.27 151.31 19.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.175 -170.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -111.23 157.89 19.59 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 170.645 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.4 t -109.87 119.23 58.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.856 0.36 . . . . 0.0 110.418 -178.795 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.497 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -115.95 148.27 40.25 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.199 178.11 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.545 HG12 ' HB2' ' A' ' 40' ' ' LEU . 16.9 m -131.58 149.52 33.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 120.939 0.399 . . . . 0.0 111.212 -178.016 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.59 149.12 27.63 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 171.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.512 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 13.6 p-10 -81.26 30.6 0.34 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.746 0.307 . . . . 0.0 110.644 -177.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' ' 76' ' ' ASP . 10.4 mp 73.82 -47.59 0.65 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.596 0.759 . . . . 0.0 110.59 -174.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -67.6 -51.26 52.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.509 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 0.7 OUTLIER -56.26 -23.38 35.81 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -177.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.438 ' HA ' HD22 ' A' ' 41' ' ' LEU . 8.4 m -49.66 -43.9 47.35 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -172.662 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.23 -45.74 83.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.131 0.491 . . . . 0.0 110.469 -178.615 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.61 -44.9 73.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.98 -39.2 82.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.5 -51.73 56.07 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.619 -0.801 . . . . 0.0 111.939 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -67.17 -33.65 75.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.888 0.375 . . . . 0.0 110.78 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -57.87 -34.65 69.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.067 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -106.68 13.98 27.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.815 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 64.23 31.98 12.71 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.156 175.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.789 HG12 ' H ' ' A' ' 90' ' ' ARG . 2.4 t -91.65 -158.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 175.661 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.789 ' H ' HG12 ' A' ' 89' ' ' VAL . 43.8 ttt180 -162.53 -175.03 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -173.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.688 ' H ' ' HG2' ' A' ' 90' ' ' ARG . 7.5 tpp180 -56.52 157.13 5.4 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 175.714 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.435 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 97.5 m-85 70.54 96.63 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.391 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 -170.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.476 ' HB3' ' HB2' ' A' ' 41' ' ' LEU . 8.2 Cg_exo -72.85 -175.69 2.01 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 123.862 3.041 . . . . 0.0 114.42 -167.361 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -171.75 162.63 6.28 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 114.56 -1.2 . . . . 0.0 109.472 -174.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.6 m -83.39 128.35 34.44 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 171.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.95 123.74 34.67 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.692 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.1 t -98.53 108.16 21.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.143 -176.324 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -111.35 130.82 55.56 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.925 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.07 141.14 27.3 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.125 -178.2 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.7 t70 63.1 21.54 12.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.54 0.686 . . . . 0.0 110.778 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.54 9.54 82.11 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.207 -176.289 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -123.64 157.1 34.56 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.807 0.336 . . . . 0.0 110.876 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 63.9 tp -76.2 129.24 36.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.274 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.479 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -99.38 -42.09 7.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.481 176.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 169.29 -173.55 43.68 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.404 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -125.8 147.32 49.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 CA-C-O 120.832 0.349 . . . . 0.0 110.164 -176.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 . . . . . 0 CA--C 1.519 -0.24 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.638 HD21 HD21 ' A' ' 61' ' ' LEU . 8.5 tt -54.59 -42.88 71.6 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.15 178.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -57.75 -46.16 84.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.961 177.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.7 m -63.25 -51.37 66.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.225 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.0 -50.06 65.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.961 -174.353 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.474 ' HG2' ' O ' ' A' ' 116' ' ' LEU . 24.5 ptt? -64.5 -34.05 77.33 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.631 -176.226 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -73.8 -37.17 65.01 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 120.71 0.29 . . . . 0.0 111.43 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.0 t -64.81 -30.61 71.63 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.991 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 61.7 mt -73.98 -42.26 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.846 0.355 . . . . 0.0 110.81 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 34.8 m -84.89 11.94 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.044 0.45 . . . . 0.0 111.314 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 12.7 t70 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.392 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 CA--C 1.533 0.297 0 CA-C-O 120.585 0.231 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.743 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 5.3 mmp_? -69.92 -29.14 66.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.737 -0.211 . . . . 0.0 111.369 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.8 mt -68.5 -40.51 80.86 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 174.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.8 mt -62.96 -27.44 69.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.49 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.0 m -62.09 -43.55 98.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.611 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -70.15 -32.96 71.18 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 132.37 -135.01 7.89 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.388 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.761 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 34.3 m0 71.39 155.64 0.15 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.681 0.753 . . . . 0.0 112.653 176.33 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 2.1 mp0 -87.83 116.98 67.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.238 -175.876 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 11.9 Cg_exo -71.93 114.31 3.93 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.678 2.252 . . . . 0.0 111.465 175.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.1 m -116.61 164.95 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.001 0.429 . . . . 0.0 111.519 -177.644 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -120.03 176.88 5.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.617 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.17 -32.45 72.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.096 0.474 . . . . 0.0 110.756 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 p -93.94 -3.53 51.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.21 -176.219 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.4 p -125.21 -9.3 7.03 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 31' ' ' ILE . 7.9 p -64.53 -42.38 95.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -175.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -76.17 -31.66 58.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.698 0.285 . . . . 0.0 110.448 -176.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -63.67 -39.43 94.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.449 0.642 . . . . 0.0 109.62 175.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -64.25 -49.68 70.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.451 175.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 27' ' ' VAL . 93.9 mt -58.47 -41.37 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.991 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -55.48 -36.54 66.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.722 179.457 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.6 ttt85 -80.21 -47.2 15.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.048 0.451 . . . . 0.0 111.098 -176.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.9 m -71.55 -41.84 72.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.521 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.23 -57.59 5.03 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -121.52 106.79 11.72 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -175.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.6 177.78 39.36 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.903 -177.193 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 10.3 m -132.87 140.69 46.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.014 0.435 . . . . 0.0 111.151 -178.751 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.4 HG13 ' HB3' ' A' ' 73' ' ' ALA . 4.3 mp -116.24 133.12 63.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.135 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.528 HD21 HG12 ' A' ' 58' ' ' ILE . 65.2 mt -96.97 128.79 44.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.032 175.683 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.4 mt -81.22 169.93 16.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.528 178.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.875 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 O-C-N 123.867 0.729 . . . . 0.0 110.934 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 50.6 t . . . . . 0 C--O 1.233 0.2 0 CA-C-O 121.321 0.581 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -66.49 -12.54 57.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.6 -175.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.528 HG12 HD21 ' A' ' 40' ' ' LEU . 2.0 mp -59.59 -30.87 45.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.52 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.53 -39.26 93.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.049 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.579 ' OE1' ' HD2' ' A' ' 63' ' ' ARG . 4.3 tp10 -68.9 -34.88 76.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.224 0.535 . . . . 0.0 110.01 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -67.56 -51.01 55.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.061 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.46 ' HG ' ' HB2' ' A' ' 70' ' ' TRP . 6.8 tt -55.02 -46.94 75.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.151 -178.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.579 ' HD2' ' OE1' ' A' ' 60' ' ' GLU . 7.0 ptp180 -73.58 -8.63 56.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.53 -175.103 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -82.93 -14.8 53.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.04 0.448 . . . . 0.0 110.344 -178.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -112.17 83.5 5.12 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -83.98 44.63 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.049 2.499 . . . . 0.0 112.98 -172.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -127.81 -46.22 1.42 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.335 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.527 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 13.5 m-85 -92.23 143.2 26.66 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 174.753 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -91.34 91.5 8.18 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 169.063 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.527 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 30.4 m95 -75.88 138.39 41.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.182 0.515 . . . . 0.0 111.077 -173.51 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -103.11 130.76 50.37 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 170.057 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.761 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 17.8 t -100.3 123.79 53.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.4 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -110.31 156.17 21.09 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.342 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.0 m -120.06 133.84 65.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.036 0.446 . . . . 0.0 110.67 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.9 133.75 43.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.409 178.435 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -59.73 153.85 19.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.044 178.036 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.875 ' HA ' ' HB2' ' A' ' 42' ' ' SER . 21.7 mt -56.15 -50.69 70.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.987 -177.081 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -72.41 -40.37 67.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.466 -178.192 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -62.33 -28.24 69.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.693 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.536 ' CB ' ' HB3' ' A' ' 42' ' ' SER . 57.8 m -62.9 -21.38 65.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.715 -179.02 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -58.38 -52.25 66.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.018 0.437 . . . . 0.0 110.396 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.46 -41.36 39.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.892 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 75.6 mt -63.2 -48.21 88.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.606 -177.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.29 -39.36 97.1 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.178 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -68.21 -39.39 82.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.161 0.505 . . . . 0.0 110.46 178.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -61.82 -33.19 73.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.338 -177.59 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -99.04 5.01 47.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.625 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 65.35 27.91 11.88 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.72 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.619 HG21 HD11 ' A' ' 96' ' ' LEU . 5.9 t -93.6 1.67 9.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.917 0.865 . . . . 0.0 108.785 175.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.424 ' N ' ' HD2' ' A' ' 90' ' ' ARG . 1.3 mpt_? 66.07 -87.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.396 -1.275 . . . . 0.0 110.951 179.172 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 91' ' ' ARG . 41.1 ttm105 -167.3 29.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.491 0.662 . . . . 0.0 109.554 -177.323 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -107.48 142.17 24.57 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.647 -178.399 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -55.14 120.3 7.96 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 123.004 2.47 . . . . 0.0 112.425 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -163.08 145.92 10.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.356 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.7 m -85.44 131.64 34.35 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.619 HD11 HG21 ' A' ' 89' ' ' VAL . 3.7 mm? -90.48 124.33 34.9 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.945 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.1 t -97.87 110.35 25.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.918 -178.337 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -114.13 136.13 53.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.332 0.587 . . . . 0.0 111.361 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.8 m -151.54 146.86 26.18 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 176.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 65.08 14.89 9.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.486 0.491 . . . . 0.0 110.411 -173.127 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 70.48 17.53 74.64 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.031 -172.808 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -127.02 154.18 44.97 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.662 0.268 . . . . 0.0 110.322 -175.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 61.5 tp -72.69 120.03 17.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.058 0.456 . . . . 0.0 111.087 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.775 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -93.4 -49.51 5.89 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.933 178.222 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 178.05 -170.53 42.78 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.63 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -123.81 146.64 48.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.968 0.414 . . . . 0.0 110.606 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.56 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 121.324 0.583 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.442 ' O ' HD23 ' A' ' 116' ' ' LEU . 6.1 tt -57.4 -33.67 68.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.603 175.121 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 87.0 mt -55.38 -48.09 74.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.785 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.9 m -69.0 -39.34 79.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.385 0.612 . . . . 0.0 110.845 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 119' ' ' LEU . 0.9 OUTLIER -68.88 -49.73 55.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.739 -175.071 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -59.97 -36.32 76.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.224 -0.443 . . . . 0.0 112.012 -175.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -67.66 -35.69 79.34 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.017 0.437 . . . . 0.0 111.333 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.7 m -65.08 -30.21 71.15 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.186 176.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 67.4 mt -74.72 -46.43 41.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.009 0.433 . . . . 0.0 110.618 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.4 m -84.64 33.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.234 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.005 179.466 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 . . . . . 0 CA--C 1.533 0.321 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.503 ' HG2' HD22 ' A' ' 14' ' ' LEU . 16.1 ptt180 -60.98 -31.9 71.48 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.09 -176.795 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.503 HD22 ' HG2' ' A' ' 13' ' ' ARG . 2.8 mm? -73.65 -40.53 63.66 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.052 0.453 . . . . 0.0 110.154 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.8 mt -63.96 -40.95 97.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.04 178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.4 m -66.52 -26.11 67.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.227 -179.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 17' ' ' ARG . 24.6 ttt180 -78.09 -5.64 52.16 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.982 -176.847 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.95 16.72 7.2 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.883 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.415 ' CH2' ' HA ' ' A' ' 56' ' ' VAL . 49.7 m0 -99.43 133.26 44.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.94 0.37 . . . . 0.0 110.776 177.397 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.4 mp0 -92.12 122.97 64.01 Favored Pre-proline 0 N--CA 1.448 -0.565 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.738 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.426 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 72.5 Cg_endo -79.3 103.65 1.65 Allowed 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.374 2.049 . . . . 0.0 111.133 174.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.4 m -92.36 176.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.39 0.614 . . . . 0.0 112.077 -172.811 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.536 ' HB2' HG22 ' A' ' 26' ' ' THR . 43.0 mt-10 -113.47 175.0 5.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.472 -179.305 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.11 -18.52 57.89 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.029 0.442 . . . . 0.0 110.805 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 p -89.14 -52.98 4.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.418 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.536 HG22 ' HB2' ' A' ' 23' ' ' GLU . 13.0 t -71.68 -23.17 61.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.89 -174.582 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.6 p -62.67 -35.05 68.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -174.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -65.25 -50.73 64.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.023 0.44 . . . . 0.0 110.534 -176.659 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.48 -37.45 80.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.652 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -56.14 -49.28 74.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.681 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.4 mt -63.88 -42.43 95.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -59.91 -38.64 82.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.311 0.577 . . . . 0.0 109.864 177.281 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 33' ' ' ARG . 11.0 ttt180 -69.59 -47.49 63.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.546 -176.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.6 m -80.05 -39.87 19.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.468 -176.469 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.22 -50.82 4.04 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.995 -0.622 . . . . 0.0 111.929 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -117.87 131.29 56.56 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.33 177.73 40.7 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.117 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.7 m -134.84 133.25 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.983 0.42 . . . . 0.0 110.955 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 39' ' ' ILE . 3.4 mp -109.31 128.22 65.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.566 178.474 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.562 ' HB2' HG12 ' A' ' 74' ' ' VAL . 4.3 mm? -104.47 131.12 52.22 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.252 178.679 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.605 ' HB2' ' HB2' ' A' ' 93' ' ' PRO . 56.8 mt -91.34 164.3 13.9 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.436 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -172.064 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.415 ' HA ' ' CH2' ' A' ' 19' ' ' TRP . 9.4 p . . . . . 0 CA--C 1.534 0.351 0 CA-C-O 121.321 0.581 . . . . 0.0 110.679 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.539 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 2.2 mpt? -83.85 1.8 41.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.85 177.302 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.423 HG13 HD13 ' A' ' 62' ' ' LEU . 10.0 tp -63.7 -21.48 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.147 0.498 . . . . 0.0 110.885 -176.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.56 ' O ' ' HG3' ' A' ' 63' ' ' ARG . . . -61.0 -43.2 99.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.726 -177.511 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 57' ' ' MET . 16.2 pt-20 -70.94 -30.06 66.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.756 0.312 . . . . 0.0 110.74 -176.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 61' ' ' LEU . 1.4 tm? -65.74 -49.39 68.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.313 0.578 . . . . 0.0 109.812 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.423 HD13 HG13 ' A' ' 58' ' ' ILE . 9.2 mp -61.46 -22.59 65.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.589 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' ' 59' ' ' ALA . 75.3 mtp180 -71.24 -11.8 61.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.423 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -88.27 -8.08 55.76 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 120.941 0.4 . . . . 0.0 110.207 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -126.85 65.19 61.95 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.18 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -77.44 7.13 3.94 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.586 2.191 . . . . 0.0 112.719 -173.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -68.83 -44.45 73.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.11 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.59 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 8.9 m-85 -96.23 162.31 13.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.232 -175.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -96.35 83.76 3.61 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.59 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 63.0 m95 -70.51 139.89 51.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.068 -175.599 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -130.29 124.27 31.99 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.436 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.8 t -96.13 127.3 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.226 -174.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.02 149.54 48.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.689 176.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.562 HG12 ' HB2' ' A' ' 40' ' ' LEU . 26.0 m -129.09 164.61 31.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.766 0.317 . . . . 0.0 111.062 -176.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.54 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -123.41 130.02 52.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.12 177.777 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.507 ' HB3' HD12 ' A' ' 77' ' ' LEU . 5.9 m-20 -61.08 -82.02 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 O-C-N 123.407 0.442 . . . . 0.0 112.005 -176.635 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.507 HD12 ' HB3' ' A' ' 76' ' ' ASP . 5.9 mp -132.4 -78.98 0.5 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.582 -178.446 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -61.06 -32.1 71.75 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.341 -177.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.54 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 22.4 mp0 -56.92 -38.87 73.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.513 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' SER . . . . . 0.493 ' HA ' HD22 ' A' ' 41' ' ' LEU . 49.6 m -61.85 -36.94 82.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.821 0.344 . . . . 0.0 110.73 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.25 -41.82 84.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.198 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.31 -45.64 25.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.531 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 72.0 mt -64.66 -43.05 96.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.784 -178.45 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.4 -52.07 53.9 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.858 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.27 -31.11 71.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.704 0.287 . . . . 0.0 110.838 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 30.7 tpt180 -54.82 -40.02 69.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.744 176.458 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -99.54 2.84 45.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.906 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 68.46 24.16 7.23 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.961 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.669 HG21 HD11 ' A' ' 96' ' ' LEU . 99.8 t -92.67 102.82 14.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.073 175.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -127.93 -12.59 5.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.237 -174.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 99.5 mtt180 -105.12 98.41 8.12 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.458 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.421 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 71.1 m-85 70.52 121.77 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.33 0 O-C-N 123.931 0.769 . . . . 0.0 110.834 -172.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.605 ' HB2' ' HB2' ' A' ' 41' ' ' LEU . 12.3 Cg_endo -56.48 -82.6 0.01 OUTLIER 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 123.093 2.529 . . . . 0.0 112.451 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 78.69 178.17 0.13 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.414 0.626 . . . . 0.0 112.09 166.383 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 106' ' ' ALA . 4.7 m -84.37 125.31 32.19 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.882 177.822 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.669 HD11 HG21 ' A' ' 89' ' ' VAL . 3.3 mm? -90.85 123.75 34.63 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 175.087 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' VAL . . . . . 0.661 HG11 HG21 ' A' ' 123' ' ' ILE . 38.5 t -99.86 109.37 24.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.79 -174.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -110.83 131.4 55.08 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.848 177.464 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.06 131.39 14.63 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.464 178.55 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.5 t70 65.02 20.12 12.02 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.822 0.82 . . . . 0.0 110.203 -177.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.4 7.49 78.46 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.606 -0.806 . . . . 0.0 111.968 -174.217 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -98.57 144.06 28.29 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 46.6 tp -93.26 109.94 21.46 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -81.46 -30.31 33.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.145 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 141.32 -172.85 23.65 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.996 177.063 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 95' ' ' THR . . . -98.76 172.67 7.31 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 177.391 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.438 HD11 ' HG ' ' A' ' 116' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 121.057 0.456 . . . . 0.0 109.842 -178.097 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 C--O 1.235 0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.438 ' HG ' HD11 ' A' ' 107' ' ' LEU . 0.8 OUTLIER -55.52 -38.07 68.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.893 -176.473 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.94 -46.11 71.44 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 111.223 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.7 m -75.64 -42.68 50.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.717 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -62.31 -49.16 76.72 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.017 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -61.13 -37.08 81.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.404 -174.144 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -69.34 -37.61 77.76 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 120.874 0.369 . . . . 0.0 111.177 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.6 t -65.99 -29.37 69.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.173 0.511 . . . . 0.0 110.157 177.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.661 HG21 HG11 ' A' ' 97' ' ' VAL . 78.7 mt -74.83 -47.3 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.173 178.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 35.1 m -86.61 25.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.014 0.435 . . . . 0.0 111.72 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--O 1.234 0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.678 178.258 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 . . . . . 0 CA--C 1.536 0.405 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.507 ' O ' HG22 ' A' ' 16' ' ' THR . 1.2 ppt_? -63.94 -26.38 68.57 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -176.591 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.25 -30.77 60.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.087 0.47 . . . . 0.0 110.265 175.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -74.97 -25.82 59.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.975 -175.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.507 HG22 ' O ' ' A' ' 13' ' ' ARG . 7.2 t -57.05 -24.92 57.37 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.183 -174.205 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -71.54 -6.9 44.09 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.1 0.476 . . . . 0.0 111.528 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.95 17.02 11.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.53 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 48.4 m0 -88.71 135.93 33.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.784 0.326 . . . . 0.0 110.38 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -99.09 122.73 51.45 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.911 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -76.28 115.23 4.06 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.308 2.006 . . . . 0.0 111.364 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.6 m -101.45 163.48 3.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 -177.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.54 ' HB2' HG22 ' A' ' 26' ' ' THR . 35.6 mt-10 -96.88 -174.87 3.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.14 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.55 -21.72 44.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.214 0.53 . . . . 0.0 110.449 176.536 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 p -94.87 -59.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.331 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.54 HG22 ' HB2' ' A' ' 23' ' ' GLU . 13.6 t -67.04 -14.51 62.97 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.95 -173.814 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.475 HG11 HG12 ' A' ' 83' ' ' ILE . 11.4 p -62.81 -38.7 82.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.033 -178.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -69.02 -43.02 75.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.383 0.611 . . . . 0.0 109.878 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.67 -40.34 88.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.554 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -57.15 -51.54 68.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.481 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.513 ' HA ' HG22 ' A' ' 34' ' ' VAL . 94.7 mt -61.41 -41.77 91.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.82 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -60.84 -31.96 71.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.628 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.469 ' C ' ' HD3' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -80.85 -45.88 16.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -178.835 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.513 HG22 ' HA ' ' A' ' 31' ' ' ILE . 21.3 m -79.45 -39.36 20.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.151 -174.146 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.56 -48.6 3.22 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.362 -0.447 . . . . 0.0 113.002 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -119.88 125.88 49.56 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 122.328 0.251 . . . . 0.0 110.714 -175.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.56 ' HA2' ' HB3' ' A' ' 70' ' ' TRP . . . 163.83 175.11 34.41 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.98 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.0 m -130.89 141.34 46.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.79 0.329 . . . . 0.0 110.405 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.408 ' N ' HD12 ' A' ' 39' ' ' ILE . 3.4 mp -110.65 126.19 67.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.223 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.575 HD21 HD13 ' A' ' 58' ' ' ILE . 78.6 mt -97.73 122.41 40.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.396 177.331 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.4 mt -87.31 160.0 18.57 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 174.49 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.8 t . . . . . 0 C--N 1.324 -0.528 0 CA-C-O 120.822 0.344 . . . . 0.0 110.08 176.77 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 p . . . . . 0 C--O 1.233 0.236 0 CA-C-O 121.47 0.652 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.607 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 85.5 mtp -87.72 -4.28 58.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.655 -178.032 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.575 HD13 HD21 ' A' ' 40' ' ' LEU . 15.1 tt -68.56 -13.32 16.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.338 0.589 . . . . 0.0 110.31 178.25 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.603 ' O ' ' HG3' ' A' ' 63' ' ' ARG . . . -58.09 -46.91 84.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.874 177.352 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' A' ' 57' ' ' MET . 12.6 pt-20 -68.94 -28.87 67.03 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.721 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.667 HD21 HD22 ' A' ' 116' ' ' LEU . 2.1 tm? -58.48 -51.27 70.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.754 175.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.428 ' HA ' HD13 ' A' ' 62' ' ' LEU . 4.2 mm? -63.59 -22.37 66.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.519 178.625 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.603 ' HG3' ' O ' ' A' ' 59' ' ' ALA . 43.4 mtp180 -77.3 -0.93 27.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.704 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLU . . . . . 0.49 ' HG3' HD11 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -80.1 -18.37 50.12 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 175.551 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -126.2 58.52 25.59 Favored Pre-proline 0 N--CA 1.453 -0.32 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.798 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -81.19 42.23 1.3 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.208 1.938 . . . . 0.0 111.461 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -97.21 -45.37 6.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.062 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.5 ' HD2' ' NE1' ' A' ' 70' ' ' TRP . 25.8 m-85 -88.57 -35.13 17.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.242 174.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.6 t70 57.82 89.91 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.229 -170.35 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.56 ' HB3' ' HA2' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -89.91 158.25 17.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.018 -163.714 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -97.03 123.43 40.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.693 0.283 . . . . 0.0 110.45 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.2 t -96.17 127.63 48.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.737 0.303 . . . . 0.0 110.72 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.89 153.86 37.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.267 177.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.555 HG12 ' HB2' ' A' ' 40' ' ' LEU . 27.3 m -129.31 165.54 29.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.08 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.39 136.93 54.99 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASP . . . . . 0.422 ' HB2' ' OE1' ' A' ' 79' ' ' GLN . 5.4 m-20 -64.41 -87.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.322 0.389 . . . . 0.0 111.701 -175.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp -130.38 -81.84 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.253 -0.279 . . . . 0.0 111.182 -178.093 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -59.3 -31.18 68.89 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.218 0.532 . . . . 0.0 110.807 -178.279 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.47 ' CG ' ' HA ' ' A' ' 23' ' ' GLU . 24.1 mp0 -54.19 -50.4 67.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.63 178.11 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.1 m -54.19 -43.67 70.91 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.528 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -60.45 -44.62 95.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.793 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.29 -32.77 55.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.549 -177.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.475 HG12 HG11 ' A' ' 27' ' ' VAL . 68.9 mt -66.7 -41.86 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.109 -178.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.96 -36.09 92.34 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.563 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -67.32 -44.99 77.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.341 . . . . 0.0 110.201 176.298 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -57.04 -42.59 80.76 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.545 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PHE . . . . . 0.661 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 22.6 m-30 -86.28 -6.76 58.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.312 -176.602 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 61.48 37.64 16.42 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.19 0.519 . . . . 0.0 110.699 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.6 p -99.18 4.64 10.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.708 0.766 . . . . 0.0 109.449 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.645 ' HG2' ' H ' ' A' ' 91' ' ' ARG . 59.8 ttt180 70.24 176.65 0.28 Allowed 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.785 -176.11 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.645 ' H ' ' HG2' ' A' ' 90' ' ' ARG . 74.8 mtp180 -89.6 73.67 7.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.982 0.42 . . . . 0.0 111.117 -174.394 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -142.11 150.07 54.41 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.219 177.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -70.02 114.56 3.78 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.405 2.07 . . . . 0.0 111.823 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ALA . . . . . 0.51 ' HB1' ' HB1' ' A' ' 106' ' ' ALA . . . -150.49 148.32 28.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.339 -177.857 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.8 m -86.96 120.67 28.47 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 175.304 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.661 ' HG ' ' CD2' ' A' ' 87' ' ' PHE . 3.7 mm? -91.99 124.73 36.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.958 0.408 . . . . 0.0 110.227 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.6 t -99.55 117.26 44.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.798 -176.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -116.85 132.51 56.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.048 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.1 p -133.87 121.8 22.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.227 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.2 t70 58.75 21.63 9.14 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.527 0.517 . . . . 0.0 111.674 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.71 -9.66 73.3 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.774 -176.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -94.24 144.19 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.06 0.43 . . . . 0.0 110.129 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 65.6 tp -89.13 130.05 35.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.8 0.333 . . . . 0.0 110.271 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.667 ' HA ' ' NE ' ' A' ' 104' ' ' ARG . 2.3 mmp_? -92.42 -27.45 17.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.051 0.453 . . . . 0.0 110.392 176.762 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 131.2 -162.17 23.6 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.982 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ALA . . . . . 0.51 ' HB1' ' HB1' ' A' ' 94' ' ' ALA . . . -99.35 152.01 20.43 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 107' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.32 -0.692 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -178.402 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 . . . . . 0 CA--C 1.522 -0.126 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.667 HD22 HD21 ' A' ' 61' ' ' LEU . 7.3 tt -59.02 -38.76 80.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.061 178.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' LEU . . . . . 0.49 HD11 ' HG3' ' A' ' 64' ' ' GLU . 3.3 mm? -59.82 -51.0 71.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.361 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.1 m -58.94 -47.27 85.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.304 -178.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.96 -49.79 59.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.377 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 27.2 ttt -67.43 -45.17 76.87 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -175.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.504 ' HA ' HG22 ' A' ' 124' ' ' VAL . 54.2 mtt-85 -64.26 -36.45 84.15 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 111.353 -176.727 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.7 t -60.04 -35.09 74.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.724 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.505 HG22 ' HB3' ' A' ' 104' ' ' ARG . 71.8 mt -78.58 -37.6 21.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.185 -178.054 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 121' ' ' ARG . 35.1 m -89.08 9.27 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 111.6 -177.092 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.8 t70 . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 121.079 0.466 . . . . 0.0 110.618 179.214 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 13' ' ' ARG . 22.4 mmt180 -59.37 -43.66 92.83 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.053 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.1 mt -65.42 -47.08 77.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.565 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.441 HD22 ' HG3' ' A' ' 21' ' ' PRO . 84.8 mt -59.74 -39.99 86.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.734 179.46 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.6 m -67.63 -26.79 66.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.851 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 ttp85 -77.3 -43.75 32.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.96 0.409 . . . . 0.0 110.123 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.5 -148.63 20.03 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.866 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.607 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 33.5 m0 68.97 154.28 0.11 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.491 0.662 . . . . 0.0 112.246 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -91.19 123.85 63.18 Favored Pre-proline 0 N--CA 1.45 -0.461 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.76 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.441 ' HG3' HD22 ' A' ' 15' ' ' LEU . 5.1 Cg_exo -79.05 111.53 2.94 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.827 2.351 . . . . 0.0 111.302 175.759 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.2 m -105.72 156.1 6.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.192 0.52 . . . . 0.0 111.616 -176.417 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.63 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 33.8 mt-10 -105.54 -178.83 3.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.464 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.29 -9.67 59.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.195 0.521 . . . . 0.0 110.046 174.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.8 t -99.67 -59.13 1.78 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.008 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.2 t -82.64 6.31 18.2 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -173.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.63 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.5 p -63.38 -51.59 68.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -175.096 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -74.54 -17.85 60.68 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 122.207 -0.308 . . . . 0.0 111.239 -178.628 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASP . . . . . 0.599 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 32.8 t70 -75.28 -37.06 61.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.257 0.551 . . . . 0.0 109.668 175.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -66.48 -47.53 72.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.748 174.14 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 27' ' ' VAL . 94.7 mt -58.42 -44.32 88.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.864 -178.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -62.75 -27.47 69.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -177.074 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -81.5 -46.27 14.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.246 0.546 . . . . 0.0 111.049 -176.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.565 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 35.4 m -78.07 -40.43 26.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.298 -177.218 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.57 -57.81 5.01 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 111.85 -0.5 . . . . 0.0 111.85 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 70' ' ' TRP . 46.5 m-20 -113.27 107.88 16.5 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -177.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.97 167.08 35.86 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 119.707 -1.235 . . . . 0.0 112.874 -175.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 7.9 m -132.76 127.98 56.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.031 0.443 . . . . 0.0 110.632 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.596 ' HB ' ' HB2' ' A' ' 96' ' ' LEU . 4.1 mp -96.83 116.02 37.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.873 178.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.47 HD23 HG23 ' A' ' 95' ' ' THR . 53.7 mt -83.51 118.44 23.78 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 174.848 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.7 mt -68.31 164.19 21.3 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.9 t . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.784 -176.026 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.457 ' O ' ' HB2' ' A' ' 57' ' ' MET . 26.7 m . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.457 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 24.2 mmt 72.67 -3.07 2.46 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.627 0.579 . . . . 0.0 111.848 -178.542 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.9 tp -80.66 -16.28 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.209 0.528 . . . . 0.0 110.055 175.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.19 -28.4 66.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.716 -173.519 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.491 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 0.1 OUTLIER -71.28 -29.17 64.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.706 0.288 . . . . 0.0 111.304 -177.22 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -53.86 -48.27 70.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.837 0.827 . . . . 0.0 109.907 176.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -58.7 -33.98 70.8 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.391 -1.277 . . . . 0.0 112.207 -178.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.491 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 10.7 ptp180 -89.7 15.62 9.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.056 0.455 . . . . 0.0 111.304 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.35 -8.21 53.68 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 169.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -124.1 78.3 59.37 Favored Pre-proline 0 N--CA 1.452 -0.332 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.709 -178.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -81.31 41.33 1.12 Allowed 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.156 1.904 . . . . 0.0 111.254 178.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -110.12 -24.41 10.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.433 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CD2' ' CZ2' ' A' ' 70' ' ' TRP . 1.9 m-85 -119.49 -179.67 3.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.729 173.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -125.64 93.66 3.91 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 170.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' TRP . . . . . 0.448 ' CZ2' ' CD2' ' A' ' 68' ' ' PHE . 19.1 m95 -79.91 139.39 37.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.019 -168.201 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' GLN . . . . . 0.565 ' OE1' ' HB ' ' A' ' 34' ' ' VAL . 27.6 mp0 -111.48 128.19 55.93 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.031 169.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.607 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 22.5 t -99.5 134.9 37.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 120.898 0.38 . . . . 0.0 110.412 -178.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.75 161.57 27.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.823 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.7 m -134.53 165.61 30.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.618 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.93 148.55 43.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.041 -178.438 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.65 174.27 1.06 Allowed 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.545 0.528 . . . . 0.0 111.501 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.7 mt -57.42 -40.87 79.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.061 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -77.29 -48.14 18.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.613 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -61.18 -32.07 71.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.336 -175.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.4 p -65.92 -34.43 78.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -176.657 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -73.97 -41.88 61.31 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.015 176.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.62 -46.1 91.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.898 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.2 mt -67.5 -35.77 74.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.411 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.8 -35.93 90.95 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.001 -0.618 . . . . 0.0 111.843 175.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -76.77 -37.34 56.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.098 0.475 . . . . 0.0 110.546 177.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -54.61 -42.54 71.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.641 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -102.1 -0.92 32.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.662 0.268 . . . . 0.0 110.91 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 58.32 54.73 5.48 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.448 0.642 . . . . 0.0 110.802 -178.582 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.403 HG22 HD11 ' A' ' 96' ' ' LEU . 21.8 t -76.25 -15.09 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.739 -177.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 91' ' ' ARG . 14.5 tpp85 72.15 21.79 3.83 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.332 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' A' ' 90' ' ' ARG . 86.6 mtt180 72.01 -168.1 0.14 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.959 177.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.415 ' H ' ' HB3' ' A' ' 91' ' ' ARG . 97.5 m-85 73.32 145.34 0.11 Allowed Pre-proline 0 N--CA 1.468 0.453 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.111 -176.223 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -63.21 124.85 14.59 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.647 2.231 . . . . 0.0 112.61 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -162.01 153.47 18.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.16 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.47 HG23 HD23 ' A' ' 40' ' ' LEU . 15.9 m -90.85 134.05 34.75 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.344 174.448 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.596 ' HB2' ' HB ' ' A' ' 39' ' ' ILE . 3.8 mm? -90.46 124.14 34.73 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.535 177.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 42.3 t -99.03 116.01 41.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.474 -174.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -120.74 136.13 54.96 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.779 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.2 p -140.15 133.47 29.85 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.16 14.37 2.0 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.811 0.844 . . . . 0.0 112.433 -179.116 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.75 -8.08 68.18 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.285 -177.237 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -97.57 144.8 26.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.997 0.427 . . . . 0.0 111.76 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.4 tp -76.57 131.14 38.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.377 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.544 ' HB3' ' CG2' ' A' ' 123' ' ' ILE . 1.9 mmp_? -100.27 -34.85 9.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.697 176.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 150.6 -161.28 28.93 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.52 -0.847 . . . . 0.0 112.295 178.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -117.97 138.15 52.37 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.438 ' HB3' ' HB ' ' A' ' 95' ' ' THR . 44.4 tp . . . . . 0 C--N 1.322 -0.598 0 CA-C-O 121.142 0.496 . . . . 0.0 110.047 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 121.269 0.557 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.3 tt -57.9 -38.44 75.84 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.168 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 89.0 mt -54.44 -54.91 34.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.008 -178.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 48.1 m -65.2 -43.33 91.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.203 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -61.4 -49.74 75.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.456 -177.038 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' MET . . . . . 0.494 ' O ' HG22 ' A' ' 124' ' ' VAL . 14.5 tpt -64.48 -46.87 81.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.094 -178.257 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -64.03 -30.34 71.42 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.052 0.453 . . . . 0.0 111.303 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.1 t -59.47 -31.03 68.96 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.877 175.076 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.544 ' CG2' ' HB3' ' A' ' 104' ' ' ARG . 50.0 mt -91.49 -48.79 13.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.265 -177.514 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 120' ' ' MET . 28.4 m -89.37 35.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.089 0.471 . . . . 0.0 111.378 -177.506 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.4 t70 . . . . . 0 N--CA 1.466 0.368 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.072 -176.765 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 . . . . . 0 CA--C 1.536 0.407 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -59.8 -38.39 81.81 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.723 0.297 . . . . 0.0 111.582 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.64 HD13 HG11 ' A' ' 74' ' ' VAL . 53.9 mt -66.4 -41.01 89.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.922 0.392 . . . . 0.0 110.142 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.28 -34.65 76.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.709 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.1 m -61.36 -27.44 68.52 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.467 -177.316 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -88.4 4.37 46.56 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.765 0.316 . . . . 0.0 111.634 -177.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.61 25.26 47.27 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.887 -0.673 . . . . 0.0 113.24 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' TRP . . . . . 0.451 ' HE3' HG21 ' A' ' 74' ' ' VAL . 53.3 m0 -84.94 141.74 30.15 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.11 0.481 . . . . 0.0 111.148 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -89.22 136.14 30.56 Favored Pre-proline 0 N--CA 1.447 -0.599 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.872 -177.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 73.3 Cg_endo -82.97 118.43 2.71 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.399 2.066 . . . . 0.0 111.637 173.757 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.466 HG13 ' HB1' ' A' ' 73' ' ' ALA . 12.9 m -104.45 155.35 6.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.898 0.38 . . . . 0.0 111.105 -178.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . 0.588 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 49.5 mt-10 -125.23 172.38 9.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.662 -177.43 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.58 -23.9 63.61 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -173.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.1 t -94.35 -14.12 25.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.713 0.292 . . . . 0.0 111.653 -176.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.53 HG22 ' HB2' ' A' ' 23' ' ' GLU . 8.4 t -121.08 -8.36 9.31 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.555 -0.458 . . . . 0.0 111.896 -176.162 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.5 ' O ' HG13 ' A' ' 31' ' ' ILE . 7.7 p -59.11 -46.02 92.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 121.282 -0.167 . . . . 0.0 111.4 -176.606 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -70.46 -30.36 67.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 0.0 110.607 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -73.95 -36.73 64.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.181 0.515 . . . . 0.0 110.209 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -65.95 -44.04 86.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.932 175.706 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 27' ' ' VAL . 87.9 mt -59.4 -40.41 81.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.27 176.263 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -61.15 -31.24 70.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.787 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 33' ' ' ARG . 2.2 tmm_? -79.89 -44.51 20.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -176.783 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.2 m -85.91 -41.59 15.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.182 -175.403 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.479 ' HA2' ' HA2' ' A' ' 101' ' ' GLY . . . 82.37 -52.51 4.67 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.727 -176.4 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -126.11 133.66 51.57 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.825 0.345 . . . . 0.0 110.093 -176.135 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.4 -171.68 40.74 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.067 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.3 m -136.06 137.19 48.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.232 0.539 . . . . 0.0 111.356 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.44 HD13 ' CD2' ' A' ' 98' ' ' PHE . 2.5 mp -106.32 125.35 62.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.224 175.329 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.502 HD21 HG12 ' A' ' 58' ' ' ILE . 71.6 mt -98.1 123.48 42.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.49 -178.211 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.63 159.91 25.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.98 0.419 . . . . 0.0 110.787 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.6 t . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.341 -179.64 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.436 ' O ' ' HB3' ' A' ' 57' ' ' MET . 27.6 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.661 -0.126 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' MET . . . . . 0.436 ' HB3' ' O ' ' A' ' 56' ' ' VAL . 56.8 ttp 81.47 -13.27 0.91 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.888 0.875 . . . . 0.0 110.62 -179.564 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.502 HG12 HD21 ' A' ' 40' ' ' LEU . 1.7 mp -71.28 -31.15 42.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.46 176.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.73 -55.27 32.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.866 0.365 . . . . 0.0 111.042 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.727 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 1.6 pm0 -63.45 -29.08 70.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.645 177.219 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.43 HD21 ' CD2' ' A' ' 116' ' ' LEU . 2.1 tm? -58.41 -45.15 88.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.323 0.582 . . . . 0.0 110.909 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 90.9 mt -48.94 -32.15 8.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.819 -1.082 . . . . 0.0 113.676 -174.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.727 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 14.7 ptt180 -74.39 -0.95 18.93 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -175.475 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.33 -30.52 33.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.273 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -118.3 88.31 32.59 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.225 -174.667 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -88.08 42.87 0.76 Allowed 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.697 2.265 . . . . 0.0 111.12 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -85.39 -41.56 15.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.098 -177.635 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.02 -178.73 7.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.632 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -88.7 107.2 18.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.766 0.317 . . . . 0.0 110.538 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -82.95 139.08 33.55 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.289 0.566 . . . . 0.0 110.596 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -121.88 139.94 53.02 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.153 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.5 t -112.86 132.17 62.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.981 0.42 . . . . 0.0 110.958 -173.578 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.466 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -133.86 146.6 50.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.99 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' VAL . . . . . 0.64 HG11 HD13 ' A' ' 14' ' ' LEU . 10.2 t -131.55 160.18 42.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.893 0.378 . . . . 0.0 110.886 -174.52 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ALA . . . . . 0.508 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -121.35 143.07 49.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.732 174.531 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.22 -65.95 0.63 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 111.469 -176.353 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.586 HD12 ' N ' ' A' ' 78' ' ' GLU . 1.5 pp -165.74 -32.54 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.222 177.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLU . . . . . 0.586 ' N ' HD12 ' A' ' 77' ' ' LEU . 8.8 tp10 -67.22 -53.09 33.34 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.481 0.657 . . . . 0.0 110.619 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.588 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 10.0 mp0 -72.68 -37.36 67.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.432 -174.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.2 p -61.14 -37.0 81.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.333 -178.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -61.92 -42.29 98.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.223 0.535 . . . . 0.0 109.992 177.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.29 -49.31 28.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.011 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.36 -47.15 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.908 -176.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.29 -45.82 95.41 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.118 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -71.34 -32.04 68.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.934 0.397 . . . . 0.0 110.715 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -60.38 -49.06 79.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.097 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -87.25 -0.46 56.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.131 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 10.0 m120 64.32 27.78 13.76 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.134 175.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.432 HG21 HD11 ' A' ' 96' ' ' LEU . 47.2 t -87.89 78.38 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.132 0.492 . . . . 0.0 111.736 -172.728 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 51.92 -151.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.999 172.52 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ARG . . . . . 0.497 ' HD3' ' HA ' ' A' ' 91' ' ' ARG . 11.5 mmt180 -143.92 35.1 1.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.782 0.325 . . . . 0.0 111.353 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' PHE . . . . . 0.518 ' HB2' ' HD2' ' A' ' 93' ' ' PRO . 54.6 p90 -138.42 159.7 66.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.833 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' PRO . . . . . 0.518 ' HD2' ' HB2' ' A' ' 92' ' ' PHE . 11.7 Cg_endo -55.21 126.21 21.78 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.034 2.489 . . . . 0.0 112.651 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -152.01 136.25 16.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.203 -177.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.474 HG23 HD23 ' A' ' 40' ' ' LEU . 49.4 m -79.0 130.07 35.13 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 174.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.432 HD11 HG21 ' A' ' 89' ' ' VAL . 3.3 mm? -91.52 124.42 35.67 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.087 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 28.9 t -97.72 105.87 17.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.324 -176.503 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' PHE . . . . . 0.51 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 30.7 m-85 -106.16 132.0 52.74 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.779 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 p -155.28 148.23 24.53 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.204 -178.329 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.7 t70 66.14 19.75 11.13 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.366 0.603 . . . . 0.0 109.928 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' GLY . . . . . 0.479 ' HA2' ' HA2' ' A' ' 35' ' ' GLY . . . 77.41 4.46 84.36 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.544 -176.16 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -128.71 166.21 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.035 0.445 . . . . 0.0 111.289 -173.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.51 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 65.6 tp -91.01 133.52 35.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.155 178.389 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -102.14 -32.26 10.2 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.858 0.361 . . . . 0.0 110.679 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 159.63 -171.81 36.11 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.989 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -107.53 156.43 19.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.711 0.291 . . . . 0.0 110.272 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.514 HD11 ' HG ' ' A' ' 116' ' ' LEU . 31.3 tp . . . . . 0 C--N 1.322 -0.617 0 CA-C-O 121.216 0.531 . . . . 0.0 110.743 -177.693 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 120.822 0.344 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 116' ' ' LEU . . . . . 0.514 ' HG ' HD11 ' A' ' 107' ' ' LEU . 6.8 tt -50.25 -42.11 51.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.036 176.558 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.88 -56.23 24.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.711 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.1 m -58.63 -47.64 83.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.38 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' LEU . . . . . 0.457 ' O ' HG13 ' A' ' 123' ' ' ILE . 4.3 mm? -66.06 -49.91 66.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.742 -176.268 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 43.6 mtp -70.58 -33.88 71.57 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.784 -176.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.516 ' HA ' HG22 ' A' ' 124' ' ' VAL . 66.6 mtt180 -64.99 -36.49 84.57 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.711 177.428 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.3 t -67.51 -35.85 79.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.779 175.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 119' ' ' LEU . 75.4 mt -66.51 -46.13 87.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.087 178.152 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' VAL . . . . . 0.516 HG22 ' HA ' ' A' ' 121' ' ' ARG . 33.5 m -81.4 35.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.253 0.549 . . . . 0.0 111.636 -177.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.525 177.715 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.9 mtp . . . . . 0 N--CA 1.483 1.211 0 CA-C-O 120.713 0.292 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.89 -160.33 0.78 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.715 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -105.59 7.5 32.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.066 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.2 t70 65.95 123.06 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 O-C-N 123.753 0.658 . . . . 0.0 110.764 -173.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.8 t -137.4 110.7 8.98 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-O 121.364 0.602 . . . . 0.0 111.921 -174.227 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -80.23 104.01 1.6 Allowed 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 122.929 2.419 . . . . 0.0 110.785 172.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -55.41 -40.52 71.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.076 -175.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.402 ' H ' ' HB3' ' A' ' 11' ' ' TRP . 63.9 p -157.56 175.37 14.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.584 0.231 . . . . 0.0 110.728 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.89 -28.58 67.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.195 0.521 . . . . 0.0 110.253 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.43 ' H ' HD12 ' A' ' 10' ' ' LEU . 5.6 mp -70.42 -28.02 64.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.916 177.639 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.484 ' CZ3' ' HA ' ' A' ' 76' ' ' ASP . 52.7 t-105 -85.23 -50.76 7.1 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.192 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -58.63 -24.6 61.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.507 -174.306 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.723 ' HG3' HD22 ' A' ' 14' ' ' LEU . 20.9 ptt180 -60.28 -29.87 69.1 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.811 178.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.723 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.8 mm? -70.59 -35.79 73.21 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-O 120.929 0.395 . . . . 0.0 110.103 176.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.08 -26.61 65.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.156 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.9 m -67.96 -27.55 66.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.299 175.27 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 17' ' ' ARG . 22.2 ttm-85 -82.08 -32.78 30.14 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.277 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.77 -146.46 18.47 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.536 -0.757 . . . . 0.0 112.224 173.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.73 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 27.0 m0 68.58 158.31 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.908 0.883 . . . . 0.0 113.009 175.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -98.98 131.7 24.96 Favored Pre-proline 0 N--CA 1.449 -0.475 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.001 -177.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -79.32 119.1 4.09 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 122.322 2.015 . . . . 0.0 111.52 173.536 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.3 m -122.39 164.25 19.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.013 0.435 . . . . 0.0 111.988 -175.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.512 ' HB2' HG22 ' A' ' 26' ' ' THR . 45.1 mt-10 -111.88 174.42 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 176.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.31 72.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.886 0.374 . . . . 0.0 110.736 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.3 t -80.85 -58.12 3.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.42 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.512 HG22 ' HB2' ' A' ' 23' ' ' GLU . 14.4 t -73.67 -6.18 45.18 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -171.222 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.5 p -67.65 -26.54 35.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.61 -53.25 58.8 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.437 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -65.61 -35.87 82.07 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.905 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -58.6 -50.54 73.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.525 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 27' ' ' VAL . 85.9 mt -58.97 -47.34 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.575 -178.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -27.52 69.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.172 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.526 ' O ' ' HD3' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -81.61 -45.14 16.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.68 0.276 . . . . 0.0 110.634 -179.168 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.507 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 34.6 m -76.95 -39.31 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.761 -175.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.73 -56.57 5.04 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 121.108 -0.567 . . . . 0.0 112.257 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -123.32 122.08 37.42 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -176.101 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.52 -177.33 48.31 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 120.071 -1.062 . . . . 0.0 112.827 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.447 ' HB ' ' CG2' ' A' ' 95' ' ' THR . 14.2 m -139.69 135.92 39.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.043 0.449 . . . . 0.0 110.605 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.401 ' N ' HD12 ' A' ' 39' ' ' ILE . 3.4 mp -102.63 125.39 56.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.3 mt -93.45 118.71 31.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.792 176.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.463 HD22 ' HA ' ' A' ' 80' ' ' SER . 88.5 mt -84.15 173.92 10.66 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.5 t -56.95 102.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.913 ' HA ' ' HB3' ' A' ' 93' ' ' PRO . 19.3 p -84.01 -104.13 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -170.2 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.437 ' CG ' ' H ' ' A' ' 54' ' ' ASN . 5.6 p-10 -90.21 123.59 65.36 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-O 121.312 0.577 . . . . 0.0 111.613 -172.697 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -81.91 172.85 11.66 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.775 2.317 . . . . 0.0 111.801 175.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 46' ' ' ARG . 4.7 ptp85 -70.28 153.75 42.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.675 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.401 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 1.2 mmp_? -123.82 -105.49 0.36 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.557 ' HB ' ' HD3' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -144.66 -55.88 0.02 OUTLIER Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 174.477 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.557 ' HD3' ' HB ' ' A' ' 48' ' ' THR . 1.0 OUTLIER -86.11 174.42 6.28 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.712 2.274 . . . . 0.0 110.694 168.343 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -84.11 51.09 1.98 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.519 0.676 . . . . 0.0 111.221 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.6 p -92.29 17.61 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.942 0.877 . . . . 0.0 109.629 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.5 p -72.44 177.15 4.78 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.955 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -113.1 -69.19 0.88 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.621 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.437 ' H ' ' CG ' ' A' ' 44' ' ' ASP . 4.2 m-20 70.04 134.69 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.47 0 O-C-N 123.739 0.65 . . . . 0.0 110.734 -177.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.67 93.06 0.31 Allowed 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.615 2.21 . . . . 0.0 113.36 -176.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 m -130.0 -21.97 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.767 176.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.4 ptt? -92.18 -4.97 53.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.044 0.449 . . . . 0.0 110.76 -176.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.0 tp -72.88 -21.51 19.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.308 0.575 . . . . 0.0 110.078 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.17 -46.69 76.51 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.456 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.675 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 11.7 pt-20 -70.01 -29.25 66.27 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.696 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.12 -51.93 67.02 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 173.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.1 tt -55.21 -42.7 73.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.211 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.675 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 5.2 ptp180 -80.22 -8.98 59.7 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -176.038 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.41 ' HA ' ' OE1' ' A' ' 64' ' ' GLU . 4.3 tp10 -83.21 -17.95 40.98 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.484 ' HE2' ' SD ' ' A' ' 120' ' ' MET . 20.0 m-85 -119.9 73.18 17.9 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.857 175.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -82.48 9.96 3.79 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.819 2.346 . . . . 0.0 112.609 -173.609 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -71.84 -35.31 69.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.404 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.524 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 4.5 m-85 -112.79 160.07 18.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.083 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -102.81 97.35 7.51 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 173.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.524 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 12.1 m95 -84.78 136.28 33.76 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.423 -171.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.507 ' OE1' ' HB ' ' A' ' 34' ' ' VAL . 28.0 mp0 -102.45 130.65 49.3 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 170.003 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.73 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 22.7 t -104.97 137.06 36.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.44 158.99 33.02 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.762 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 13.7 m -118.14 134.4 61.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.883 177.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.602 ' O ' ' HB2' ' A' ' 79' ' ' GLN . . . -102.27 24.54 10.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.166 -172.808 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.535 ' CG ' ' H ' ' A' ' 77' ' ' LEU . 18.8 t70 54.66 -157.8 0.2 Allowed 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.535 ' H ' ' CG ' ' A' ' 76' ' ' ASP . 6.2 mp -101.15 -35.89 9.15 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 177.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -77.11 -53.8 7.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.035 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.602 ' HB2' ' O ' ' A' ' 75' ' ' ALA . 63.5 mm-40 -57.91 -33.65 69.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.888 -174.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.463 ' HA ' HD22 ' A' ' 41' ' ' LEU . 72.4 m -53.01 -33.89 53.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.356 178.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLU . . . . . 0.535 ' HG3' ' HD2' ' A' ' 91' ' ' ARG . 38.2 tt0 -72.82 -42.95 63.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.633 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.11 -42.2 60.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.873 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.461 HD12 ' HB1' ' A' ' 75' ' ' ALA . 60.0 mt -64.59 -44.24 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 178.385 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.486 ' HA2' HG12 ' A' ' 89' ' ' VAL . . . -60.56 -39.07 95.94 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.026 178.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -62.72 -46.11 89.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.822 0.344 . . . . 0.0 110.485 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -62.34 -42.41 99.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.222 -177.029 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -92.18 5.29 50.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.988 0.423 . . . . 0.0 111.337 -175.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 77.8 m-20 68.05 34.5 4.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.3 170.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.505 HG21 ' HB3' ' A' ' 94' ' ' ALA . 8.0 p -95.06 9.88 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 122.076 0.941 . . . . 0.0 108.462 173.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 72.56 -81.85 0.03 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-N 113.907 -1.497 . . . . 0.0 110.938 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.535 ' HD2' ' HG3' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -171.58 19.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.338 . . . . 0.0 110.746 -179.448 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -104.58 155.62 37.12 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.263 -175.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.913 ' HB3' ' HA ' ' A' ' 43' ' ' SER . 27.8 Cg_exo -62.24 126.07 17.76 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.035 2.49 . . . . 0.0 112.131 178.246 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.505 ' HB3' HG21 ' A' ' 89' ' ' VAL . . . -164.56 157.13 16.72 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.135 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.447 ' CG2' ' HB ' ' A' ' 38' ' ' VAL . 22.6 m -95.32 136.6 35.47 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.22 174.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.11 124.78 35.59 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 38.2 t -92.74 106.15 17.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.552 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.46 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 23.5 m-85 -117.41 123.21 45.87 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.24 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 33.6 p -144.34 153.8 42.37 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 177.018 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.527 ' O ' ' HB3' ' A' ' 130' ' ' GLN . 8.9 m-20 64.5 14.48 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.339 0.4 . . . . 0.0 110.852 175.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 69.82 23.54 76.83 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.254 -173.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -138.76 154.78 48.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.95 0.405 . . . . 0.0 110.795 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.46 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 57.7 tp -80.19 122.99 27.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.009 0.433 . . . . 0.0 111.437 -177.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.503 ' HB3' HG22 ' A' ' 123' ' ' ILE . 20.2 mmt180 -89.4 -33.74 16.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.164 175.081 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 147.89 -159.15 27.94 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.845 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -124.85 163.08 22.96 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.17 77.05 1.01 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.6 t -100.57 112.52 24.91 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 103.83 -178.42 24.89 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 -172.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.7 HG13 ' HG ' ' A' ' 119' ' ' LEU . 40.7 mm 54.11 87.69 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 121.351 0.596 . . . . 0.0 110.749 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.498 ' HB3' ' HD3' ' A' ' 112' ' ' PRO . 27.0 t60 -97.22 -48.65 0.23 Allowed Pre-proline 0 C--N 1.319 -0.745 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -173.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.498 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 11.7 Cg_exo -72.63 168.05 25.5 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.006 1.804 . . . . 0.0 112.3 176.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.419 ' CH2' ' HG3' ' A' ' 60' ' ' GLU . 5.6 t-105 -76.03 -164.65 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.504 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 68.27 -69.13 0.15 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.498 0.719 . . . . 0.0 111.124 -176.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -65.95 -35.65 81.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.502 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.424 ' HA ' HG21 ' A' ' 110' ' ' ILE . 4.0 tt -59.27 -40.12 85.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.449 -178.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 85.1 mt -57.97 -57.71 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.701 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 45.6 m -64.42 -39.7 94.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.497 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.7 ' HG ' HG13 ' A' ' 110' ' ' ILE . 2.0 tm? -62.15 -50.65 71.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 110.181 -179.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.506 ' O ' HG22 ' A' ' 124' ' ' VAL . 27.2 ttt -68.77 -38.94 80.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.255 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -60.84 -36.07 78.18 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 122.245 0.218 . . . . 0.0 111.552 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.9 t -59.34 -30.69 68.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.659 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.503 HG22 ' HB3' ' A' ' 104' ' ' ARG . 54.3 mt -86.68 -41.58 14.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.746 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 120' ' ' MET . 35.7 m -97.0 33.4 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.026 0.441 . . . . 0.0 111.114 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.23 -49.22 78.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.636 -175.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 3.6 p -126.11 134.14 25.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -178.588 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 126' ' ' THR . 37.2 Cg_exo -61.51 163.23 18.51 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.964 2.442 . . . . 0.0 111.523 173.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -140.64 -167.37 2.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.957 0.408 . . . . 0.0 111.255 -175.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -129.74 136.79 50.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.898 177.196 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.527 ' HB3' ' O ' ' A' ' 100' ' ' ASP . 14.4 pt20 -83.91 154.33 23.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 -177.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -58.03 -34.02 69.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.784 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 40.0 m 66.31 82.87 0.18 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.226 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.7 p -141.65 89.01 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 122.071 0.939 . . . . 0.0 109.563 175.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -116.34 93.75 4.36 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.026 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 135' ' ' LEU . 1.4 tm? -95.88 99.07 10.91 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 177.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -108.59 146.26 33.6 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -125.99 153.11 44.8 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.462 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -91.66 -73.68 0.53 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 174.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -146.14 92.21 2.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.802 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -77.13 -29.9 54.91 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 173.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -178.65 -34.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.346 -1.297 . . . . 0.0 108.144 172.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 4.9 p80 . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.389 -0.823 . . . . 0.0 108.948 172.311 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.652 ' HA ' HG21 ' A' ' 26' ' ' THR . 4.5 mpp? . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 120.783 0.325 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.19 148.62 26.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.519 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -58.45 -54.11 50.7 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 174.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -178.84 -51.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.607 174.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 m 56.71 70.29 1.47 Allowed Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.804 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -78.97 -58.87 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.801 2.334 . . . . 0.0 111.737 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -125.91 109.28 12.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.901 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.3 t -177.42 96.08 0.04 OUTLIER 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.424 174.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.48 -30.62 59.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.58 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.59 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 47.2 tp -66.14 -40.09 90.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.734 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 55.9 t-105 -72.78 -51.78 17.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.702 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -52.36 -33.26 42.33 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.484 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.59 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 21.2 ptt180 -66.16 -26.65 67.52 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.599 0.238 . . . . 0.0 111.159 -176.289 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.64 HD11 HG22 ' A' ' 56' ' ' VAL . 4.0 mm? -73.97 -37.96 64.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.066 0.46 . . . . 0.0 110.447 176.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.538 ' HA ' ' HB2' ' A' ' 19' ' ' TRP . 70.7 mt -66.52 -27.16 67.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.698 -175.062 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 13' ' ' ARG . 4.1 t -59.25 -25.63 64.22 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -173.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -76.78 4.72 9.05 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.715 0.293 . . . . 0.0 111.477 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.58 29.78 8.05 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.48 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.538 ' HB2' ' HA ' ' A' ' 15' ' ' LEU . 36.2 m0 -96.49 131.2 43.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.067 0.461 . . . . 0.0 110.312 -178.347 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -98.84 121.28 56.54 Favored Pre-proline 0 N--CA 1.445 -0.695 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.76 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.519 ' HD3' HD22 ' A' ' 15' ' ' LEU . 37.3 Cg_endo -68.59 132.88 26.31 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 121.997 1.798 . . . . 0.0 110.155 170.458 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.4 m -123.92 166.68 18.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.675 0.75 . . . . 0.0 112.675 -174.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.544 ' HB2' HG22 ' A' ' 26' ' ' THR . 52.3 mt-10 -119.69 175.7 5.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.307 -1.315 . . . . 0.0 108.599 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.8 -30.03 66.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.236 0.541 . . . . 0.0 110.391 176.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.3 t -78.29 -53.71 7.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.389 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.652 HG21 ' HA ' ' A' ' 1' ' ' MET . 14.5 t -79.11 -13.22 59.87 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -172.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.487 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.8 p -62.18 -32.71 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 176.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.3 -47.82 84.4 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.277 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.55 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 12.9 t70 -68.0 -45.33 74.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.868 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.405 ' O ' HG22 ' A' ' 34' ' ' VAL . 78.6 t90 -58.31 -46.2 86.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 27' ' ' VAL . 96.4 mt -57.94 -52.36 59.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.235 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.55 ' HE3' ' HA ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -70.86 -20.64 62.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.963 0.411 . . . . 0.0 111.113 -177.562 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -72.98 -46.43 52.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.154 0.502 . . . . 0.0 110.954 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 30' ' ' TRP . 34.7 m -88.18 -36.79 9.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.089 -177.273 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.66 -50.26 4.33 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.607 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -124.69 133.78 53.09 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.9 -175.74 42.08 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.198 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.8 m -131.05 139.74 50.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.186 0.517 . . . . 0.0 111.368 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.463 ' HB ' ' HB2' ' A' ' 96' ' ' LEU . 70.4 mt -109.17 123.77 65.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.406 175.03 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.464 HD11 HG21 ' A' ' 58' ' ' ILE . 76.5 mt -98.42 127.17 44.24 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.413 HD12 ' H ' ' A' ' 94' ' ' ALA . 74.3 mt -77.26 157.01 31.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 174.549 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.7 t -61.66 125.61 24.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.327 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.8 m -70.57 141.49 51.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.318 174.155 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.1 t70 64.44 75.42 0.37 Allowed Pre-proline 0 N--CA 1.464 0.232 0 O-C-N 123.696 0.622 . . . . 0.0 110.718 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.28 -37.81 0.14 Allowed 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.945 2.43 . . . . 0.0 111.523 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -174.38 158.51 2.9 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 67.12 -142.88 0.14 Allowed 'General case' 0 C--O 1.233 0.189 0 O-C-N 123.597 0.561 . . . . 0.0 109.747 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.2 p -71.75 137.2 82.81 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 120.413 0.149 . . . . 0.0 111.068 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.5 169.35 15.88 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.612 2.208 . . . . 0.0 111.611 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -66.21 121.9 16.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.058 0.456 . . . . 0.0 110.35 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.2 p -115.97 -9.41 12.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.044 -175.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.5 m -62.88 -46.85 85.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.778 0.323 . . . . 0.0 110.882 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -158.08 -167.27 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -124.12 113.75 27.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 120.632 0.253 . . . . 0.0 110.767 -177.497 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -58.65 -16.11 28.96 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.993 2.462 . . . . 0.0 112.824 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.64 HG22 HD11 ' A' ' 14' ' ' LEU . 23.9 t -61.93 -32.3 53.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.143 0.497 . . . . 0.0 110.571 178.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.411 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 26.5 mmt -95.59 11.1 34.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.904 -174.465 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.464 HG21 HD11 ' A' ' 40' ' ' LEU . 10.8 tt -80.87 -14.05 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.707 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.78 75.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.814 -176.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 57' ' ' MET . 11.4 pt-20 -73.44 -28.05 61.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.179 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.59 HD21 HD22 ' A' ' 116' ' ' LEU . 1.8 tm? -57.3 -45.26 84.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.162 0.506 . . . . 0.0 110.397 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.96 -27.04 60.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.794 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -74.55 -12.35 60.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.066 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -79.9 -19.61 47.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.877 0.37 . . . . 0.0 110.31 -174.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -120.5 70.63 17.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.143 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -81.85 42.94 1.41 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.315 2.01 . . . . 0.0 112.411 -174.233 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -91.57 -40.61 11.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.332 0.587 . . . . 0.0 109.493 178.248 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.406 ' HD2' ' CE2' ' A' ' 70' ' ' TRP . 2.2 m-85 -113.48 174.17 6.05 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.28 -179.527 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -97.4 89.56 4.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.163 0.506 . . . . 0.0 109.725 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.406 ' CE2' ' HD2' ' A' ' 68' ' ' PHE . 51.1 m95 -79.75 143.52 34.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.997 -176.735 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 52.8 mt-30 -133.07 155.38 49.33 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.239 172.075 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.9 t -109.98 127.96 66.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.133 0.492 . . . . 0.0 111.117 -175.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -119.22 141.8 48.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.38 174.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 15.4 m -120.57 135.96 59.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.161 0.505 . . . . 0.0 110.921 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.428 ' HB1' ' HA ' ' A' ' 80' ' ' SER . . . -91.93 128.31 37.72 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.541 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.532 ' HB3' ' OE1' ' A' ' 79' ' ' GLN . 17.0 t70 -64.92 159.05 23.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.003 177.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.515 ' H ' HD12 ' A' ' 77' ' ' LEU . 6.7 mp -51.99 -33.86 40.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.919 0.39 . . . . 0.0 111.722 -176.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -78.03 -52.3 9.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.166 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.537 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 25.0 mp0 -74.93 -24.7 58.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -172.211 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.428 ' HA ' ' HB1' ' A' ' 75' ' ' ALA . 61.3 p -53.83 -40.02 66.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.085 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -62.14 -51.73 66.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.667 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.57 -38.36 87.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.287 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.1 mt -65.75 -52.96 43.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.809 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.13 -31.56 81.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.909 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.48 -41.2 84.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.696 0.284 . . . . 0.0 110.827 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -60.55 -39.82 89.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -83.62 0.53 46.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.469 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 60.57 30.68 19.92 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.119 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.605 HG21 HD11 ' A' ' 96' ' ' LEU . 57.5 t -86.55 -63.61 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.178 175.655 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.458 ' HG2' ' H ' ' A' ' 91' ' ' ARG . 37.3 ttm180 61.85 179.21 0.12 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.564 176.257 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.458 ' H ' ' HG2' ' A' ' 90' ' ' ARG . 24.6 mmt180 74.17 -134.61 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.891 0.476 . . . . 0.0 111.626 175.727 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.533 ' HB3' ' HD2' ' A' ' 93' ' ' PRO . 65.2 m-85 -75.31 161.61 76.2 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.427 -173.256 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.533 ' HD2' ' HB3' ' A' ' 92' ' ' PHE . 10.3 Cg_endo -53.95 125.72 19.64 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.021 2.481 . . . . 0.0 112.374 178.495 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.821 ' HA ' ' HA ' ' A' ' 108' ' ' SER . . . -131.54 134.55 46.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.55 -177.694 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.4 m -76.57 124.7 28.02 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 172.127 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.605 HD11 HG21 ' A' ' 89' ' ' VAL . 3.4 mm? -91.15 125.22 35.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.899 0.38 . . . . 0.0 110.25 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 62.7 t -95.4 104.51 15.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.444 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.431 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 21.2 m-85 -109.94 127.39 54.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.472 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.2 p -145.32 136.92 25.3 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.961 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.1 t0 62.57 23.82 14.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.531 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.62 11.96 82.76 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 120.983 -0.627 . . . . 0.0 113.037 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.511 ' HG3' ' OE1' ' A' ' 131' ' ' GLU . 1.5 tmtp? -122.17 143.14 49.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.253 0.527 . . . . 0.0 110.392 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.456 ' N ' ' HD3' ' A' ' 102' ' ' LYS . 68.6 tp -82.35 115.04 21.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.383 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -85.4 -26.64 26.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.614 -177.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 157.03 -177.74 33.77 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.05 176.506 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.461 ' HB1' ' HB1' ' A' ' 94' ' ' ALA . . . -110.68 148.47 32.2 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 178.051 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 107' ' ' LEU . 1.0 OUTLIER -95.24 -41.49 9.03 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.4 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.821 ' HA ' ' HA ' ' A' ' 94' ' ' ALA . 24.2 m 67.44 145.06 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.392 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -74.69 10.63 8.47 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.92 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 16.1 tt -89.07 -9.84 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.083 0.468 . . . . 0.0 110.453 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -106.24 117.91 56.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.171 176.554 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -85.47 -167.66 0.43 Allowed 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.793 2.328 . . . . 0.0 112.859 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.47 ' CH2' HD23 ' A' ' 61' ' ' LEU . 3.0 t-105 -69.64 -170.64 0.32 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.476 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 69.71 -69.43 0.17 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.293 0.637 . . . . 0.0 111.357 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -73.56 -25.66 60.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.878 0.371 . . . . 0.0 110.605 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.59 HD22 HD21 ' A' ' 61' ' ' LEU . 6.9 tt -52.04 -40.07 60.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.578 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.48 -36.26 75.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.338 -178.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.0 m -85.93 -50.29 7.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.874 0.369 . . . . 0.0 111.135 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.81 -49.66 74.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.893 -175.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 28.3 ttt -76.02 -34.9 59.69 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.467 -173.487 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.545 ' HA ' HG22 ' A' ' 124' ' ' VAL . 28.7 ttt180 -62.7 -43.53 98.56 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.48 -178.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.3 m -57.14 -30.68 64.63 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.174 0.512 . . . . 0.0 111.2 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 50.4 mm -80.78 -42.05 20.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.01 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.545 HG22 ' HA ' ' A' ' 121' ' ' ARG . 14.8 m -84.27 -12.54 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.659 -175.822 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -69.69 -35.09 74.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 40.0 p 47.98 80.31 0.3 Allowed Pre-proline 0 N--CA 1.465 0.318 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.089 -177.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.88 -30.78 39.72 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.55 2.167 . . . . 0.0 112.43 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -151.27 152.62 33.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.184 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -138.62 -70.99 0.42 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.811 178.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 57.01 25.25 10.48 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.62 0.724 . . . . 0.0 110.089 -176.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.511 ' OE1' ' HG3' ' A' ' 102' ' ' LYS . 36.2 tt0 -129.12 107.88 9.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.417 -173.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 11.5 t -122.09 -7.41 8.86 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.365 168.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 28.7 m -106.98 136.86 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.317 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -130.61 165.97 21.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.25 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.512 HD13 ' N ' ' A' ' 136' ' ' GLU . 2.2 tm? -66.34 140.04 58.07 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 174.08 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.512 ' N ' HD13 ' A' ' 135' ' ' LEU . 45.0 mt-10 -56.26 114.6 2.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.127 0.489 . . . . 0.0 111.798 -175.775 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 38.4 m80 -88.56 -28.53 20.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.533 174.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -92.92 -43.11 9.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.327 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' HIS . . . . . 0.48 ' HA ' ' HB3' ' A' ' 136' ' ' GLU . 10.9 t-80 71.11 -64.69 0.37 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.28 173.203 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -135.66 135.41 40.12 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -177.476 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -113.87 149.92 34.37 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.722 -175.011 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.744 -0.646 . . . . 0.0 109.836 175.667 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.29 110.22 2.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.993 0.425 . . . . 0.0 110.636 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.473 ' O ' HD12 ' A' ' 77' ' ' LEU . 42.8 t30 -87.97 -35.13 17.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.994 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -81.95 37.67 0.49 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.938 -173.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.4 p -125.0 74.05 66.09 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 120.763 0.316 . . . . 0.0 111.452 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.578 ' HB3' HD13 ' A' ' 77' ' ' LEU . 96.8 Cg_endo -86.64 2.54 7.13 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.755 2.303 . . . . 0.0 112.02 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -110.4 57.44 0.62 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.471 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.6 p -121.76 151.23 40.78 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.745 -176.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.27 -28.48 69.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.813 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.2 tp -67.71 -46.94 70.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.738 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.564 ' CH2' ' HA ' ' A' ' 76' ' ' ASP . 56.8 t-105 -66.61 -55.96 12.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.334 -178.121 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -51.7 -39.23 57.95 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.509 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.407 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 6.1 tpp180 -62.9 -33.42 75.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.316 -177.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.3 mt -66.07 -39.05 89.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.018 0.437 . . . . 0.0 110.019 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.462 HD22 ' HD3' ' A' ' 21' ' ' PRO . 74.5 mt -68.7 -41.43 79.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.948 177.762 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.1 m -56.46 -30.67 63.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.345 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.3 ttm-85 -74.73 -11.41 60.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.364 -175.437 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.74 10.49 10.12 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.471 -0.871 . . . . 0.0 113.12 176.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.433 ' HH2' ' O ' ' A' ' 55' ' ' PRO . 48.6 m0 -98.32 138.78 35.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.694 0.283 . . . . 0.0 110.798 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -108.6 143.33 27.3 Favored Pre-proline 0 N--CA 1.447 -0.584 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.534 177.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.462 ' HD3' HD22 ' A' ' 15' ' ' LEU . 62.9 Cg_endo -77.58 128.01 9.21 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.587 2.191 . . . . 0.0 112.673 178.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.0 m -111.81 167.47 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.096 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.507 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 39.4 mt-10 -137.34 166.57 23.48 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -176.303 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.69 -20.3 61.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.318 0.58 . . . . 0.0 109.559 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.5 t -66.38 -35.73 81.06 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.23 178.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.2 t -128.53 12.08 6.36 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -173.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.507 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 14.7 p -68.03 -34.16 65.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 O-C-N 122.294 -0.254 . . . . 0.0 111.141 -177.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.38 -48.24 82.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.092 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.3 -46.35 90.18 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.676 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.504 ' O ' HG22 ' A' ' 34' ' ' VAL . 61.5 t90 -55.26 -47.0 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.954 -178.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 27' ' ' VAL . 86.6 mt -58.43 -45.82 89.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.965 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -68.65 -36.59 78.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.542 0.687 . . . . 0.0 111.09 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -67.12 -45.74 76.23 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.268 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 30' ' ' TRP . 18.6 m -89.8 -37.1 9.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.213 -177.472 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.16 -53.89 4.91 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 121.078 -0.582 . . . . 0.0 111.816 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -124.4 133.03 53.52 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -177.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.56 -179.84 42.37 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.346 -0.93 . . . . 0.0 112.621 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.415 HG21 ' HG ' ' A' ' 62' ' ' LEU . 15.3 m -133.93 136.66 53.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.04 0.448 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.43 ' HB ' ' HB2' ' A' ' 96' ' ' LEU . 3.9 mp -105.22 119.04 53.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.452 177.575 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.627 HD11 HG21 ' A' ' 58' ' ' ILE . 82.3 mt -83.53 124.84 31.15 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 176.594 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.438 ' HB3' ' H ' ' A' ' 42' ' ' SER . 47.6 mt -75.32 -164.81 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.946 178.069 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.528 ' HB3' ' HB3' ' A' ' 80' ' ' SER . 81.2 p -51.65 -45.54 63.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.989 -173.1 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.5 m 56.75 48.97 15.2 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.024 0.44 . . . . 0.0 110.588 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -45.06 126.03 5.44 Favored Pre-proline 0 N--CA 1.465 0.302 0 CA-C-N 114.877 -1.056 . . . . 0.0 112.54 -176.311 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -65.98 130.98 25.75 Favored 'Trans proline' 0 C--O 1.237 0.426 0 C-N-CA 122.679 2.253 . . . . 0.0 111.321 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -123.65 177.45 5.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.86 0.362 . . . . 0.0 110.659 -173.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -119.12 74.75 1.0 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.8 t -136.53 143.3 42.6 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.551 -172.868 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -74.47 59.6 4.8 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 122.751 2.301 . . . . 0.0 112.48 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -139.85 146.86 39.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.15 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.4 m -110.14 168.5 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.421 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.9 m 66.1 6.08 3.93 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 123.586 0.554 . . . . 0.0 111.872 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -77.5 -14.82 59.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.737 . . . . 0.0 109.938 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 95.3 m-20 -113.05 152.5 45.02 Favored Pre-proline 0 N--CA 1.45 -0.462 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.593 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.534 ' HB3' HD13 ' A' ' 40' ' ' LEU . 71.5 Cg_exo -52.73 -18.71 9.33 Favored 'Trans proline' 0 N--CA 1.477 0.518 0 C-N-CA 124.032 3.155 . . . . 0.0 114.524 -175.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.495 HG23 ' HG3' ' A' ' 57' ' ' MET . 28.2 m -57.18 -21.89 15.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -175.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.495 ' HG3' HG23 ' A' ' 56' ' ' VAL . 64.4 mtt -113.0 7.74 18.22 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -177.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.627 HG21 HD11 ' A' ' 40' ' ' LEU . 8.2 tp -81.79 -20.68 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.995 0.426 . . . . 0.0 110.509 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.07 -52.78 53.75 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.36 -176.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -60.76 -29.92 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.159 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.682 HD11 HD22 ' A' ' 116' ' ' LEU . 5.7 tt -70.99 -56.91 5.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.461 0.648 . . . . 0.0 110.18 178.877 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -64.2 -22.5 66.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.051 -171.782 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -85.94 9.3 17.33 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.52 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -87.22 -2.86 58.93 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.281 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -105.91 91.1 4.96 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.145 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.52 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 83.8 Cg_endo -85.36 2.45 7.78 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.635 2.223 . . . . 0.0 112.892 -176.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -58.66 -73.58 0.08 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.026 0.441 . . . . 0.0 110.917 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.422 ' HE2' ' CZ2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -100.85 177.43 4.97 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.403 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -100.19 102.9 14.32 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.422 ' CZ2' ' HE2' ' A' ' 68' ' ' PHE . 51.4 m95 -81.65 148.34 29.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.198 -175.305 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.463 ' HG3' ' HB ' ' A' ' 34' ' ' VAL . 45.2 mm-40 -117.17 134.26 54.99 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.078 176.118 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.3 t -109.7 122.8 64.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -132.61 158.43 42.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.756 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.6 m -118.81 154.92 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.783 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.429 ' CB ' HD12 ' A' ' 83' ' ' ILE . . . -85.85 19.3 2.58 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -173.256 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.564 ' HA ' ' CH2' ' A' ' 11' ' ' TRP . 36.3 t0 64.16 -93.45 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.222 0.609 . . . . 0.0 110.989 178.175 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.592 ' HG ' ' N ' ' A' ' 78' ' ' GLU . 2.5 pt? -154.03 -64.27 0.14 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 122.022 -0.424 . . . . 0.0 111.707 175.113 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.592 ' N ' ' HG ' ' A' ' 77' ' ' LEU . 25.9 tt0 -76.68 -35.29 58.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.792 0.806 . . . . 0.0 110.151 -174.666 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.497 ' OE1' ' HB3' ' A' ' 76' ' ' ASP . 21.0 mp0 -63.54 -24.32 67.76 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.312 -176.286 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.528 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 15.2 m -49.62 -48.01 49.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.572 -178.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -68.52 -39.75 81.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.016 0.436 . . . . 0.0 110.178 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.17 -33.94 76.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.414 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 79' ' ' GLN . 46.0 mt -65.68 -45.75 91.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.652 0.263 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.97 -33.89 88.43 Favored Glycine 0 CA--C 1.518 0.221 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.619 177.359 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -69.39 -42.23 75.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.898 0.38 . . . . 0.0 110.548 177.057 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -54.51 -43.33 71.76 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.572 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -93.2 -2.59 55.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.819 -177.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 56.21 40.74 29.94 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.193 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.485 ' O ' ' HB2' ' A' ' 90' ' ' ARG . 9.5 p -95.57 11.97 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.281 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 89' ' ' VAL . 65.8 mtp180 77.49 -178.95 0.13 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.758 -176.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.89 90.79 3.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.082 -174.812 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -163.73 159.67 17.32 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.97 175.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.42 122.29 11.08 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.574 2.182 . . . . 0.0 112.241 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -156.48 169.06 25.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.306 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.718 ' HB ' HD23 ' A' ' 107' ' ' LEU . 29.9 m -115.8 130.8 56.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.519 174.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.43 ' HB2' ' HB ' ' A' ' 39' ' ' ILE . 3.5 mm? -90.97 126.06 35.97 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.964 -0.295 . . . . 0.0 110.311 -177.395 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.8 t -97.56 111.0 26.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.471 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -118.63 124.73 48.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.136 0.493 . . . . 0.0 111.486 178.459 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 41.6 p -140.94 136.35 32.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.773 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 62.99 19.71 11.81 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.39 0.431 . . . . 0.0 110.935 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 70.89 20.97 78.06 Favored Glycine 0 CA--C 1.522 0.524 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.284 -173.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -115.6 146.33 41.87 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 63.7 tp -85.84 109.28 18.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.408 ' HB3' HG22 ' A' ' 123' ' ' ILE . 19.1 mmm180 -83.9 -28.93 27.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.076 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 154.76 -160.69 29.81 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.734 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.477 ' HA ' ' O ' ' A' ' 95' ' ' THR . . . -141.87 151.92 43.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.805 0.336 . . . . 0.0 110.992 -178.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.718 HD23 ' HB ' ' A' ' 95' ' ' THR . 3.5 mm? -81.45 108.22 14.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.432 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.9 m -132.11 125.43 31.31 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.563 -178.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -158.97 179.75 34.38 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.181 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 27.4 pt -102.83 -3.18 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.172 0.511 . . . . 0.0 110.456 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.454 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 8.0 p80 -162.22 144.51 8.54 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 173.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 111' ' ' HIS . 26.9 Cg_exo -62.98 -74.25 0.02 OUTLIER 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 123.147 2.565 . . . . 0.0 115.026 -169.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.458 ' O ' ' HB2' ' A' ' 114' ' ' ALA . 2.2 t-105 -95.86 121.14 37.28 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -165.532 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 113' ' ' TRP . . . 161.99 -76.75 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.575 0 O-C-N 124.831 1.332 . . . . 0.0 110.204 173.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -77.46 -22.23 51.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.213 -171.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.682 HD22 HD11 ' A' ' 61' ' ' LEU . 9.7 tt -53.62 -45.35 70.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.46 -178.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.1 -37.15 71.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.153 -173.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.6 m -82.82 -50.76 8.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.644 0.259 . . . . 0.0 110.968 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.472 ' O ' HG13 ' A' ' 123' ' ' ILE . 3.7 mm? -59.91 -40.32 88.43 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.535 -177.341 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.531 ' O ' HG22 ' A' ' 124' ' ' VAL . 15.2 tpt -57.51 -38.11 74.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.835 0.35 . . . . 0.0 110.609 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 40.7 mtt85 -66.63 -40.13 88.59 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.339 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.9 m -67.42 -34.43 77.21 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-O 121.043 0.449 . . . . 0.0 111.111 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 119' ' ' LEU . 70.8 mt -68.72 -43.18 83.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 120' ' ' MET . 33.3 m -94.88 19.94 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.413 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -78.55 -9.36 59.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.269 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 42.2 p 64.47 142.23 0.07 OUTLIER Pre-proline 0 N--CA 1.474 0.745 0 C-N-CA 124.927 1.291 . . . . 0.0 112.379 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 126' ' ' THR . 2.9 Cg_exo -76.42 12.27 1.63 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.138 2.558 . . . . 0.0 112.056 178.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.44 22.69 2.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.287 -176.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -126.22 68.01 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.343 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 60.67 93.08 0.04 OUTLIER 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.657 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -95.69 148.56 22.42 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 21.0 p -106.88 -92.76 0.4 Allowed 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.9 m -139.83 84.28 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.278 0.561 . . . . 0.0 110.075 176.628 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -89.85 161.06 16.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.101 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.6 mp 56.93 54.73 6.77 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.268 0.556 . . . . 0.0 109.794 -174.333 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.41 149.97 12.41 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.421 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -50.17 111.09 0.47 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.599 177.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -92.6 94.91 9.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.682 -177.106 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -61.52 114.85 3.47 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 175.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -130.83 140.0 50.21 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.098 0.475 . . . . 0.0 111.307 -175.381 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -89.15 -26.15 21.45 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 173.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 . . . . . 0 C--O 1.247 0.974 0 CA-C-N 114.855 -1.066 . . . . 0.0 108.815 172.834 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ttt . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 121.149 0.5 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.76 94.32 1.13 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.28 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -115.57 123.64 48.97 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -110.11 95.78 5.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.2 0.524 . . . . 0.0 110.662 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.448 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 2.2 p -123.41 124.46 26.31 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.207 178.266 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 32.5 Cg_exo -58.91 111.19 0.82 Allowed 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.923 2.415 . . . . 0.0 112.261 -178.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -90.93 126.69 36.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.419 0.628 . . . . 0.0 111.083 -177.665 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 p -97.62 171.85 8.09 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.1 177.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.56 -34.41 78.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.815 0.34 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.451 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 6.7 tt -62.13 -42.92 99.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.836 176.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -71.01 -50.2 36.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.871 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -54.44 -42.19 70.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.368 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.527 ' HG3' HD22 ' A' ' 14' ' ' LEU . 19.2 ptt180 -62.99 -31.57 72.72 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.552 -176.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.527 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.8 mm? -70.13 -40.67 74.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.789 0.328 . . . . 0.0 110.461 176.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.03 -33.3 75.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.158 0.504 . . . . 0.0 110.129 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.7 m -62.54 -25.85 68.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.29 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -71.83 -6.94 45.27 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.994 0.426 . . . . 0.0 110.741 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.6 25.03 3.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.772 . . . . 0.0 113.038 173.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.579 ' HH2' ' HA ' ' A' ' 55' ' ' PRO . 39.3 m0 -100.65 144.36 29.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.013 0.435 . . . . 0.0 110.902 -178.094 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -109.4 125.1 32.13 Favored Pre-proline 0 N--CA 1.447 -0.615 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.005 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -77.01 115.6 4.04 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.227 1.951 . . . . 0.0 111.253 173.155 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.0 m -112.21 153.98 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.958 0.408 . . . . 0.0 111.44 -175.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.464 ' H ' ' HB ' ' A' ' 26' ' ' THR . 41.3 mt-10 -101.06 -174.61 2.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.785 -177.186 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.17 -48.21 71.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.925 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.3 p -89.35 -35.93 15.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.994 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.464 ' HB ' ' H ' ' A' ' 23' ' ' GLU . 10.9 m -64.74 -26.96 68.58 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.664 -177.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 31' ' ' ILE . 8.3 p -68.78 -29.79 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.765 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -65.03 -37.32 87.22 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.149 0.5 . . . . 0.0 110.233 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -72.95 -38.77 66.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.949 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.432 ' O ' HG22 ' A' ' 34' ' ' VAL . 84.1 t90 -58.71 -45.41 89.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.264 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 27' ' ' VAL . 90.4 mt -60.1 -45.8 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.094 178.557 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -27.95 67.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.823 0.344 . . . . 0.0 110.801 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -72.75 -47.26 48.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.565 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 30' ' ' TRP . 28.3 m -94.39 -38.79 9.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.404 -173.415 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.44 -52.33 4.65 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.806 -0.712 . . . . 0.0 111.954 -175.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -116.55 128.68 55.65 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.95 173.67 41.83 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 119.869 -1.157 . . . . 0.0 112.584 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.3 m -130.87 134.0 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.01 0.433 . . . . 0.0 110.812 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.04 127.63 64.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.534 ' HB2' HG12 ' A' ' 74' ' ' VAL . 66.5 mt -91.79 133.97 35.16 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 176.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 60.6 mt -82.27 173.88 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.821 0.344 . . . . 0.0 110.383 176.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -82.63 96.44 8.11 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.622 -177.341 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.805 ' HB3' ' HB3' ' A' ' 93' ' ' PRO . 2.9 p -94.85 162.11 13.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.314 174.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -67.31 118.28 54.81 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.207 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -96.77 7.63 1.52 Allowed 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 123.079 2.52 . . . . 0.0 113.15 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.2 mtm180 -91.3 88.37 6.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.924 0.392 . . . . 0.0 111.081 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 68.09 -80.95 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.324 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.48 ' HB ' ' HD2' ' A' ' 49' ' ' PRO . 65.0 p 58.41 156.4 0.09 OUTLIER Pre-proline 0 N--CA 1.474 0.737 0 C-N-CA 124.663 1.185 . . . . 0.0 113.105 -178.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.48 ' HD2' ' HB ' ' A' ' 48' ' ' THR . 60.1 Cg_endo -74.63 -16.51 21.17 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.421 2.08 . . . . 0.0 112.433 178.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 62.1 96.82 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.834 0.709 . . . . 0.0 111.194 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.5 m -128.32 -46.62 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.627 -177.485 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.3 m -153.4 164.11 38.75 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.488 ' CG ' ' H ' ' A' ' 54' ' ' ASN . 15.5 t70 59.6 -144.86 0.53 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -175.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.488 ' H ' ' CG ' ' A' ' 53' ' ' ASP . 95.2 m-20 71.84 154.3 0.15 Allowed Pre-proline 0 C--O 1.233 0.221 0 CA-C-O 121.605 0.716 . . . . 0.0 111.974 176.76 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.579 ' HA ' ' HH2' ' A' ' 19' ' ' TRP . 34.4 Cg_exo -62.24 159.27 35.87 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.685 2.257 . . . . 0.0 112.325 177.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.435 ' HB ' ' O ' ' A' ' 55' ' ' PRO . 85.0 t 76.84 -53.47 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.177 177.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.47 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 27.2 ttt -61.06 -28.31 68.98 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.742 0.306 . . . . 0.0 111.777 -175.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.0 tp -62.62 -18.24 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 121.125 0.488 . . . . 0.0 111.591 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.1 97.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.766 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 57' ' ' MET . 10.6 pt-20 -72.01 -28.24 63.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.809 0.338 . . . . 0.0 110.706 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.26 -54.1 34.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 174.375 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.7 tt -51.86 -45.43 64.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.596 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -69.19 -7.98 41.45 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.78 -20.61 45.85 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -128.2 54.73 14.2 Favored Pre-proline 0 CA--C 1.531 0.24 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.099 -175.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -81.89 43.3 1.49 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.15 1.9 . . . . 0.0 112.397 -173.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -88.44 -45.2 10.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.166 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.536 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 6.0 m-85 -100.22 171.1 8.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.679 -177.607 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -88.24 75.08 8.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.352 0.596 . . . . 0.0 109.422 177.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.536 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 90.5 m95 -68.7 145.94 53.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.43 -175.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -137.59 145.58 42.98 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.494 175.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.0 t -103.96 127.8 57.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.186 0.517 . . . . 0.0 111.433 -174.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.26 148.09 45.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.915 175.586 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.534 HG12 ' HB2' ' A' ' 40' ' ' LEU . 28.9 m -132.89 171.09 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.749 0.309 . . . . 0.0 110.954 -177.573 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.608 ' HB1' ' HG3' ' A' ' 79' ' ' GLN . . . -145.89 150.16 35.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.008 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.417 ' C ' HD12 ' A' ' 77' ' ' LEU . 1.2 p30 -86.92 -87.02 0.15 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -177.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.417 HD12 ' C ' ' A' ' 76' ' ' ASP . 7.6 mp -125.48 -76.45 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.929 -0.482 . . . . 0.0 112.026 -174.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -56.02 -54.03 49.79 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.397 0.618 . . . . 0.0 111.091 -175.123 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.608 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 2.5 pt20 -56.75 -42.19 78.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.479 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.8 m -53.53 -44.79 69.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.738 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -66.07 -46.9 76.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.663 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.28 92.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.024 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.15 -51.09 77.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.445 176.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.34 -44.96 97.39 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.76 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -56.89 -45.23 82.73 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.747 0.308 . . . . 0.0 110.979 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -62.1 -40.83 97.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.041 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -82.62 0.14 44.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.906 0.384 . . . . 0.0 110.422 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 70.94 21.62 4.92 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.253 176.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 62.7 t -128.14 100.52 6.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.096 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.41 ' HD3' ' N ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -127.43 24.79 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.107 0.479 . . . . 0.0 110.501 -178.148 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -135.67 133.02 37.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.058 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 74.09 141.92 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.409 0 O-C-N 124.233 0.958 . . . . 0.0 111.081 -178.099 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.805 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 15.2 Cg_exo -67.43 114.65 3.34 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.069 1.846 . . . . 0.0 109.737 171.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -142.99 139.67 30.72 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.191 0.519 . . . . 0.0 111.532 -172.225 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.685 ' HB ' HD23 ' A' ' 107' ' ' LEU . 10.7 m -78.98 133.54 36.85 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.961 173.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -91.91 128.34 37.72 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 22.1 t -104.45 114.22 43.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.391 -174.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -118.19 139.34 51.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.928 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.3 142.72 24.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.456 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.4 t70 63.49 14.61 8.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.511 0.672 . . . . 0.0 111.179 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.72 5.38 89.9 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.175 -176.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -120.2 161.29 21.31 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.789 0.328 . . . . 0.0 110.576 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.5 tp -76.34 139.1 40.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.072 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -120.87 -37.24 3.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.28 178.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 171.28 -162.04 34.66 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.18 -1.009 . . . . 0.0 112.417 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -153.63 166.81 31.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.951 0.405 . . . . 0.0 110.781 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.685 HD23 ' HB ' ' A' ' 95' ' ' THR . 3.8 mm? -91.39 21.32 4.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.296 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.3 m -65.91 135.39 54.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.783 -176.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.55 150.69 16.41 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.496 175.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.2 tt -86.83 120.77 36.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.197 0.523 . . . . 0.0 110.231 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 1.3 p-80 -154.92 141.79 13.46 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.63 -178.567 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 111' ' ' HIS . 33.0 Cg_exo -58.46 164.47 9.02 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.44 2.76 . . . . 0.0 112.82 -178.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -54.03 -56.97 13.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.068 -177.785 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.07 -35.58 67.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.052 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -74.24 -40.64 62.25 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.383 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.0 tt -57.98 -48.14 80.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.691 176.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 69.4 mt -58.05 -46.69 84.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.473 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 59.4 m -61.09 -51.48 68.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.313 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.437 ' O ' HG13 ' A' ' 123' ' ' ILE . 97.2 mt -64.47 -47.09 80.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.717 0.294 . . . . 0.0 111.05 -178.56 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 14.8 tpt -63.47 -40.86 98.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.378 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.642 ' HA ' HG22 ' A' ' 124' ' ' VAL . 41.8 mtt180 -65.5 -36.67 84.54 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 177.696 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 25.0 t -60.66 -38.69 85.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.03 174.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 119' ' ' LEU . 84.0 mt -68.14 -47.88 76.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.187 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.642 HG22 ' HA ' ' A' ' 121' ' ' ARG . 26.1 m -77.79 4.2 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -175.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -60.28 -31.6 70.4 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 25.3 m 59.37 85.06 0.19 Allowed Pre-proline 0 C--O 1.234 0.247 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.886 172.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -71.26 125.36 11.28 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 121.833 1.689 . . . . 0.0 110.272 168.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -55.36 -63.75 1.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.026 0.441 . . . . 0.0 111.419 -175.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -86.19 87.4 7.42 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.402 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -161.25 147.2 14.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.777 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 69.68 88.32 0.11 Allowed 'General case' 0 C--O 1.234 0.252 0 O-C-N 124.288 0.992 . . . . 0.0 111.161 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 12.3 m -90.91 95.25 10.02 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.543 176.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.9 p -84.27 121.22 36.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.021 -177.368 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -97.11 118.04 32.65 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.101 176.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 93.0 mt -56.25 134.07 52.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 123.472 0.482 . . . . 0.0 110.852 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -61.04 154.3 23.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.134 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -69.91 119.03 13.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.358 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -60.25 104.4 0.32 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.041 0.448 . . . . 0.0 111.58 -173.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 26.6 p80 -131.69 170.21 15.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.557 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -87.71 160.21 18.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.988 0.423 . . . . 0.0 110.978 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -151.49 123.81 8.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.409 174.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 8.3 p80 . . . . . 0 C--N 1.317 -0.831 0 CA-C-O 118.286 -0.864 . . . . 0.0 109.98 -177.577 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ttt . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 121.093 0.473 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.93 -56.34 2.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.291 173.216 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 67.41 102.98 0.05 OUTLIER 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.155 -0.93 . . . . 0.0 112.082 174.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.5 t70 71.46 -174.59 0.17 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.999 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 m 56.81 67.74 2.48 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-O 121.099 0.476 . . . . 0.0 110.052 -171.052 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.08 99.9 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.819 2.346 . . . . 0.0 112.699 -176.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -87.74 -17.81 30.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.347 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 p -87.81 119.32 28.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.961 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.66 -33.45 74.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.079 -178.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.43 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 7.1 mp -64.66 -27.87 69.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.865 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.8 t-105 -79.7 -46.04 17.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.496 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -48.45 -35.74 13.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.186 -0.915 . . . . 0.0 113.177 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.7 ' HG3' HD22 ' A' ' 14' ' ' LEU . 8.3 ptp180 -62.93 -29.29 70.68 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.574 -177.213 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.7 HD22 ' HG3' ' A' ' 13' ' ' ARG . 2.8 mm? -72.43 -31.09 65.19 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.108 0.48 . . . . 0.0 109.919 178.537 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.6 mt -66.15 -38.59 88.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.568 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.9 m -67.41 -27.12 66.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.952 177.367 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -76.39 -14.97 60.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.245 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.31 26.01 6.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.67 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -99.89 130.73 46.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.744 0.307 . . . . 0.0 110.424 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -101.42 122.58 47.55 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.621 -177.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 4.2 Cg_exo -75.33 114.64 4.04 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.871 2.381 . . . . 0.0 111.249 173.027 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.2 m -116.75 175.36 3.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.235 0.541 . . . . 0.0 112.143 -174.295 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.517 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 38.2 mt-10 -110.78 167.48 10.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.201 178.484 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.47 -21.39 64.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.349 0.595 . . . . 0.0 110.572 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.7 p -80.79 -62.22 1.73 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.999 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.5 t -73.09 -17.37 61.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.324 -172.74 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' ' 31' ' ' ILE . 9.1 p -62.4 -31.29 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.81 0.338 . . . . 0.0 110.251 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -61.0 -49.13 78.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.416 0.627 . . . . 0.0 110.215 177.565 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -70.96 -35.88 72.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.435 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.459 ' O ' HG22 ' A' ' 34' ' ' VAL . 85.6 t90 -59.06 -49.92 76.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.68 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 27' ' ' VAL . 94.8 mt -60.62 -39.58 81.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.077 0.465 . . . . 0.0 110.681 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -71.06 -23.74 62.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.934 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.42 ' O ' ' HD3' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -77.15 -44.27 30.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.901 -179.667 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 30' ' ' TRP . 26.1 m -85.87 -45.0 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.783 -177.184 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.95 -18.36 27.2 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.728 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.502 ' OD2' ' HB2' ' A' ' 68' ' ' PHE . 28.0 t0 -142.13 155.93 45.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -176.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.529 ' HA2' ' HB3' ' A' ' 70' ' ' TRP . . . 129.53 -176.09 18.7 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 119.957 -1.116 . . . . 0.0 113.778 172.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.0 m -130.6 144.35 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.011 0.434 . . . . 0.0 111.108 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.565 HG13 ' HB3' ' A' ' 73' ' ' ALA . 2.6 mp -110.88 132.01 60.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.728 177.806 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.531 ' HB2' HG12 ' A' ' 74' ' ' VAL . 87.3 mt -108.4 134.17 51.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.861 0.363 . . . . 0.0 110.898 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.1 mt -93.73 153.68 18.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.333 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.9 t -76.09 153.71 36.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.155 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.1 t -83.37 90.03 7.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.35 0.595 . . . . 0.0 111.159 -175.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -142.59 84.11 11.29 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.544 173.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.506 ' HA ' ' O ' ' A' ' 91' ' ' ARG . 48.8 Cg_endo -96.98 -169.05 0.12 Allowed 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 123.542 2.828 . . . . 0.0 112.664 -178.299 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.8 ttm-85 -90.1 -73.75 0.51 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.014 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -82.51 160.11 22.7 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 173.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.7 m 62.41 69.02 0.96 Allowed Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -166.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.36 136.43 28.83 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 122.689 2.259 . . . . 0.0 113.069 -172.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 75.96 151.46 0.12 Allowed 'General case' 0 CA--C 1.531 0.214 0 O-C-N 124.046 0.841 . . . . 0.0 110.803 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.0 p -53.94 127.19 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.83 -177.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 p -129.53 -22.27 3.04 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.811 178.649 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -93.39 154.32 18.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.46 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.418 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 44.7 m-80 -119.34 139.66 27.97 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.485 -178.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 54' ' ' ASN . 11.0 Cg_exo -71.29 66.11 2.75 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.102 2.535 . . . . 0.0 112.22 178.034 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.429 ' C ' ' H ' ' A' ' 58' ' ' ILE . 26.9 m -126.21 164.62 25.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.858 178.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 65.2 mtm 71.38 -20.74 0.22 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.312 0.645 . . . . 0.0 112.097 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.449 HD11 HG21 ' A' ' 95' ' ' THR . 8.7 tp -74.08 -30.87 28.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.262 -177.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.36 -45.84 36.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.974 0.416 . . . . 0.0 111.053 -176.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.672 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 1.7 pm0 -65.81 -28.15 68.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.135 177.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.582 HD11 HD21 ' A' ' 116' ' ' LEU . 1.6 tt -52.46 -47.51 66.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.444 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' A' ' 62' ' ' LEU . 2.7 mm? -61.28 -22.12 64.57 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -173.451 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.672 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 5.1 ptp180 -76.26 -2.94 33.87 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.366 -0.534 . . . . 0.0 111.094 -176.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -78.94 -10.56 59.85 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.135 0.493 . . . . 0.0 109.821 174.461 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -117.72 76.44 10.55 Favored Pre-proline 0 N--CA 1.452 -0.366 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.44 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -77.49 43.85 1.41 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.124 2.549 . . . . 0.0 112.457 -174.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -105.68 -67.5 0.92 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.962 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.502 ' HB2' ' OD2' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -95.49 176.81 6.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.937 -177.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -112.71 90.12 3.26 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 175.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.529 ' HB3' ' HA2' ' A' ' 37' ' ' GLY . 10.4 m95 -72.5 139.65 47.75 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.979 -173.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -101.39 166.91 10.5 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.1 t -129.09 125.39 62.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.979 0.419 . . . . 0.0 110.401 177.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.565 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -117.13 144.0 45.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.147 177.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.531 HG12 ' HB2' ' A' ' 40' ' ' LEU . 18.3 m -125.23 155.41 34.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.384 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.69 156.12 19.43 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.685 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -68.14 -105.34 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.674 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.1 mp -124.37 -66.95 0.95 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -59.15 -41.46 88.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.556 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.517 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 18.4 mp0 -54.3 -37.02 64.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.719 -179.082 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.5 m -64.16 -38.17 90.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.9 0.381 . . . . 0.0 110.701 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -74.23 -40.3 62.5 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.56 96.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.08 177.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 79' ' ' GLN . 67.5 mt -61.57 -47.38 93.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.179 175.336 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.82 -42.1 94.4 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.71 176.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -57.83 -45.44 86.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.963 0.411 . . . . 0.0 111.025 177.361 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -60.64 -36.11 77.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.881 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -106.24 5.32 29.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.724 0.297 . . . . 0.0 111.232 -175.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 62.17 34.38 16.23 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.329 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 44.0 t -93.91 143.66 11.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.042 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -69.08 160.88 30.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.626 0.25 . . . . 0.0 110.608 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.506 ' O ' ' HA ' ' A' ' 45' ' ' PRO . 18.3 mtp-105 -74.43 78.29 1.9 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.515 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -147.3 160.84 38.35 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.569 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -62.31 114.63 2.43 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.846 1.697 . . . . 0.0 110.922 172.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -141.26 147.26 37.94 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.497 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.591 ' HB ' ' HB2' ' A' ' 107' ' ' LEU . 24.7 m -106.19 120.72 42.56 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.85 176.064 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -93.11 124.8 37.34 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.531 HG11 HG12 ' A' ' 124' ' ' VAL . 60.4 t -96.72 119.74 45.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.114 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.406 ' CD2' HD13 ' A' ' 39' ' ' ILE . 23.2 m-85 -122.14 125.82 47.0 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -176.763 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.412 HG22 ' OD1' ' A' ' 36' ' ' ASP . 70.6 p -145.43 147.86 32.68 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 174.342 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 36.9 t70 65.61 19.26 11.44 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.84 0.829 . . . . 0.0 109.381 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 70.68 6.54 59.35 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.349 -174.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -115.05 158.16 22.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.077 0.465 . . . . 0.0 111.116 -176.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.7 tp -81.96 127.83 33.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.337 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.573 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 8.9 mmp_? -89.69 -42.71 11.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.144 177.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 173.99 170.83 37.8 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.741 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -112.96 140.26 47.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.788 0.327 . . . . 0.0 110.508 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.591 ' HB2' ' HB ' ' A' ' 95' ' ' THR . 4.2 mm? -94.23 109.01 20.84 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.506 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.7 m -151.1 155.14 38.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.12 178.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 85.46 -58.6 4.88 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.856 -0.687 . . . . 0.0 113.053 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 35.4 pt -76.71 158.89 5.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.981 0.419 . . . . 0.0 111.237 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.898 ' H ' ' HD2' ' A' ' 112' ' ' PRO . 89.9 m-70 -143.71 -50.47 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.089 -177.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.898 ' HD2' ' H ' ' A' ' 111' ' ' HIS . 21.1 Cg_endo -60.19 151.47 73.0 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 122.353 2.035 . . . . 0.0 114.029 -175.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 18.9 t-105 -73.97 -175.35 2.14 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.637 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 69.64 -70.23 0.15 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.217 0.607 . . . . 0.0 110.879 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -60.08 -36.87 78.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.099 0.476 . . . . 0.0 109.839 176.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.582 HD21 HD11 ' A' ' 61' ' ' LEU . 10.0 tt -54.8 -47.86 73.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.191 175.074 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.21 -51.55 68.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.589 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.1 m -53.65 -47.73 70.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.312 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 119' ' ' LEU . 4.4 mm? -72.45 -49.79 30.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.718 -178.55 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.43 ' O ' HG22 ' A' ' 124' ' ' VAL . 66.7 mtp -63.59 -27.67 69.41 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.233 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -62.73 -39.07 92.96 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.891 0.377 . . . . 0.0 110.487 175.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.4 t -72.91 -30.26 63.77 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.974 177.256 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.431 ' O ' ' HB3' ' A' ' 104' ' ' ARG . 46.9 mm -68.57 -47.59 76.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.705 176.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.531 HG12 HG11 ' A' ' 97' ' ' VAL . 18.8 m -88.36 17.28 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.969 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -50.31 -50.9 49.3 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.547 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 44.4 m 66.05 108.06 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.275 0 CA-C-O 121.549 0.69 . . . . 0.0 112.168 173.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.98 -153.58 0.04 OUTLIER 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.995 2.463 . . . . 0.0 112.219 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.87 -31.67 68.76 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.006 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 65.93 -174.98 0.18 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.131 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -98.24 54.16 1.08 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -51.49 100.03 0.02 OUTLIER 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.425 -177.4 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.0 p -143.4 137.36 28.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.809 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 48.8 t 69.21 -68.94 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 122.946 0.498 . . . . 0.0 111.645 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 50.76 75.31 0.19 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.361 0.6 . . . . 0.0 109.919 -172.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 7.2 tt -87.08 102.18 14.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.014 -169.237 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -103.26 32.66 3.66 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 167.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -86.49 15.29 5.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.327 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 6.9 p-80 -53.25 124.63 15.1 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.085 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -85.69 170.26 12.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.358 0.599 . . . . 0.0 112.315 -168.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -64.43 137.26 57.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.652 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -100.15 143.53 30.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.87 -177.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.963 -0.541 . . . . 0.0 110.82 177.907 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 55.57 22.42 5.19 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.185 0.594 . . . . 0.0 112.276 176.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -177.34 150.2 0.7 Allowed 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -175.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -67.31 93.05 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 175.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 p -144.13 132.04 10.78 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.726 -172.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 7.2 Cg_exo -74.09 94.38 0.89 Allowed 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.951 2.434 . . . . 0.0 110.412 170.242 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -104.39 -67.66 0.89 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.466 -173.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.8 t -120.87 152.78 38.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.967 -176.333 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.98 -34.96 79.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.428 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 9.0 tt -63.3 -28.98 70.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.378 0.609 . . . . 0.0 109.961 178.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.584 ' CH2' ' HA ' ' A' ' 76' ' ' ASP . 32.4 t-105 -86.08 -51.77 6.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.729 177.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -62.7 -24.37 67.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.314 -176.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 40.6 ptt180 -56.66 -33.94 66.86 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 122.446 -0.159 . . . . 0.0 110.968 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -75.23 -44.0 48.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.145 0.498 . . . . 0.0 109.781 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.44 HD11 ' NE1' ' A' ' 11' ' ' TRP . 56.8 mt -59.78 -37.85 80.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.737 -179.343 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -60.94 -29.54 69.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.945 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -80.16 -0.6 36.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.675 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.41 1.26 55.6 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 31.7 m0 -67.05 131.53 46.03 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.449 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 34.1 tp60 -103.77 123.06 42.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.946 -171.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 7.2 Cg_exo -73.28 126.75 11.31 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.897 2.398 . . . . 0.0 111.707 176.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.95 163.56 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.55 -177.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.555 ' HB2' HG22 ' A' ' 26' ' ' THR . 45.9 mt-10 -112.86 164.4 13.46 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.22 -27.65 65.66 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.096 0.474 . . . . 0.0 111.019 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 p -82.62 -16.51 48.13 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.371 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.555 HG22 ' HB2' ' A' ' 23' ' ' GLU . 12.6 t -129.73 0.73 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -176.851 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.457 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.6 p -64.85 -44.81 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 121.322 -0.151 . . . . 0.0 111.161 -176.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.487 ' HA ' HD12 ' A' ' 31' ' ' ILE . 4.7 p-10 -64.2 -32.43 74.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.845 0.355 . . . . 0.0 110.898 -177.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.2 -41.33 86.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.372 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -67.03 -40.52 87.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.763 176.451 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 28' ' ' ASP . 96.1 mt -59.43 -51.63 70.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.496 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -19.93 64.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 111.134 -178.294 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 -74.12 -46.17 44.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.158 0.504 . . . . 0.0 110.931 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.7 m -87.93 -35.02 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.884 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.41 -61.21 1.51 Allowed Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.147 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -120.66 131.75 54.74 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.767 0.318 . . . . 0.0 110.402 -174.499 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.86 179.6 45.54 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.914 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.6 m -130.23 134.86 61.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.189 0.519 . . . . 0.0 111.421 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.546 HG13 ' HB3' ' A' ' 73' ' ' ALA . 2.1 mp -109.06 127.84 65.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.724 177.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.409 HD11 HG21 ' A' ' 58' ' ' ILE . 95.0 mt -104.29 129.95 52.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.912 0.387 . . . . 0.0 110.625 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.8 mt -89.55 168.57 12.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.69 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.3 t -50.35 113.81 0.97 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.331 175.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.437 ' HA ' ' HB3' ' A' ' 93' ' ' PRO . 38.9 m -86.23 131.89 34.13 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.087 -175.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.623 ' HB2' ' H ' ' A' ' 53' ' ' ASP . 20.4 t70 67.14 116.27 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.44 0 O-C-N 124.092 0.87 . . . . 0.0 111.724 -177.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -76.13 16.97 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 123.342 2.695 . . . . 0.0 111.735 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.874 ' HA ' ' HE ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER 69.74 50.4 0.49 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.977 -177.679 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -107.77 -42.14 4.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.29 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.0 p -115.49 112.77 43.28 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 120.888 0.375 . . . . 0.0 111.906 -176.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.71 -36.87 10.14 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.7 2.266 . . . . 0.0 110.474 171.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -83.04 104.86 13.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.613 175.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t 65.36 92.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.499 0.666 . . . . 0.0 111.12 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -95.97 178.21 5.5 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.316 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.623 ' H ' ' HB2' ' A' ' 44' ' ' ASP . 28.1 m-20 -86.56 122.0 29.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.774 0.321 . . . . 0.0 110.248 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -149.96 101.02 3.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.898 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -81.35 43.39 1.52 Allowed 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 123.156 2.571 . . . . 0.0 113.919 -172.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.6 m -87.05 73.9 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 122.412 1.101 . . . . 0.0 110.533 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.419 ' H ' ' H ' ' A' ' 58' ' ' ILE . 25.8 ptt? 174.94 -0.4 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 113.617 -1.629 . . . . 0.0 108.706 -178.229 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.419 ' H ' ' H ' ' A' ' 57' ' ' MET . 9.8 tp -72.56 -19.66 19.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.022 -174.532 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.63 -42.1 91.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.055 -176.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.431 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 10.1 pt-20 -73.1 -27.59 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 111.185 -177.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.568 HD21 HD22 ' A' ' 116' ' ' LEU . 2.4 tm? -59.59 -56.59 19.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.572 177.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.432 ' HA ' HD13 ' A' ' 62' ' ' LEU . 3.6 mm? -66.1 -21.16 66.34 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -173.434 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.431 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 8.6 ptp180 -83.1 9.28 10.74 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.92 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -84.21 -5.3 59.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.3 0.571 . . . . 0.0 109.475 170.839 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -117.51 79.83 12.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.515 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.29 43.84 1.57 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.011 2.474 . . . . 0.0 113.312 -172.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -103.82 -43.56 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.223 0.535 . . . . 0.0 110.211 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -117.46 161.89 18.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.817 -176.164 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -95.71 92.92 6.81 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 171.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -71.1 143.1 50.74 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.316 -172.405 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -123.34 145.15 48.97 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.98 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.1 t -107.98 123.72 63.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.969 0.414 . . . . 0.0 110.734 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.546 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -117.57 147.17 43.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.241 177.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.8 m -119.67 143.05 32.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.038 0.447 . . . . 0.0 110.759 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.487 ' O ' ' HB2' ' A' ' 79' ' ' GLN . . . -95.43 36.36 1.26 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.192 -178.154 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.584 ' HA ' ' CH2' ' A' ' 11' ' ' TRP . 28.6 t70 53.22 -106.27 0.29 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.759 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 98.2 mt -149.41 -56.53 0.19 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 176.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.52 -34.34 72.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.303 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' A' ' 75' ' ' ALA . 9.6 mm100 -67.02 -29.39 69.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.648 -178.542 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 44.9 m -58.87 -38.04 77.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.05 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.26 -49.28 74.65 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.325 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.38 -43.78 84.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.394 -178.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.413 HD12 ' CB ' ' A' ' 75' ' ' ALA . 54.3 mt -68.11 -39.24 81.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.399 -177.216 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.67 -37.24 92.03 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.997 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -77.36 -41.69 39.33 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.956 0.408 . . . . 0.0 110.315 176.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -53.57 -41.67 66.77 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.42 -177.681 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -107.66 6.75 28.07 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.591 -177.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 61.15 43.55 10.99 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.12 0.486 . . . . 0.0 111.056 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.4 HG12 ' O ' ' A' ' 89' ' ' VAL . 15.8 t -93.08 -0.19 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.193 -177.196 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.65 ' HA ' ' HE ' ' A' ' 90' ' ' ARG . 6.1 mmp_? 70.54 -176.64 0.2 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.648 -173.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 91' ' ' ARG . 42.8 ttm180 -105.8 65.98 0.72 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.36 0.6 . . . . 0.0 110.036 178.67 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -138.15 138.45 23.14 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.89 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.437 ' HB3' ' HA ' ' A' ' 43' ' ' SER . 13.9 Cg_endo -59.67 114.87 2.25 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.392 2.061 . . . . 0.0 111.998 177.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -151.76 147.88 27.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.477 -177.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.0 m -81.72 128.06 33.58 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.661 176.002 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.12 124.42 35.33 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.858 178.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 47.5 t -96.83 104.12 15.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.165 -177.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.526 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 41.7 m-85 -106.65 133.78 50.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.59 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.01 145.8 25.09 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.43 -175.373 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 p30 56.15 15.07 1.7 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.743 0.817 . . . . 0.0 112.141 -177.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.43 -10.3 71.23 Favored Glycine 0 N--CA 1.442 -0.95 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.313 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -116.21 168.93 9.68 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.544 -178.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.526 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 61.5 tp -89.89 134.45 34.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.729 -178.203 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.439 ' HD3' ' HA ' ' A' ' 104' ' ' ARG . 27.4 mmt180 -103.55 -24.79 13.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.271 177.561 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 155.09 178.36 29.28 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.447 176.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -105.06 148.5 26.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.88 99.46 6.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.257 0.551 . . . . 0.0 111.681 -176.048 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.6 m -98.55 68.36 1.83 Allowed 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 167.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -78.84 103.75 2.02 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.448 -175.034 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.435 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 41.2 pt -81.18 -178.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.426 0.155 . . . . 0.0 110.746 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.435 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 21.6 m80 71.54 147.93 0.12 Allowed Pre-proline 0 N--CA 1.468 0.473 0 O-C-N 123.717 0.636 . . . . 0.0 111.204 -178.055 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.63 62.91 3.77 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 123.054 2.503 . . . . 0.0 112.954 -178.634 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.401 ' CE2' HD21 ' A' ' 117' ' ' LEU . 5.9 t-105 72.16 113.69 0.06 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.795 175.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 178.92 -71.88 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.601 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.5 -29.75 63.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.381 -168.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.568 HD22 HD21 ' A' ' 61' ' ' LEU . 10.5 tt -55.19 -39.48 69.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.402 -177.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.401 HD21 ' CE2' ' A' ' 113' ' ' TRP . 4.0 mm? -58.85 -48.95 79.57 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.294 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.5 m -60.51 -46.82 88.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.018 0.437 . . . . 0.0 111.08 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 119' ' ' LEU . 4.2 mm? -70.08 -49.51 50.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.793 -175.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.483 ' SD ' HD21 ' A' ' 116' ' ' LEU . 58.0 mtp -70.71 -27.56 64.07 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -176.472 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -65.11 -35.8 82.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.017 0.437 . . . . 0.0 111.256 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 t -66.54 -29.56 69.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.607 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.73 -38.41 78.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.968 -176.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 33.4 m -78.54 31.05 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -173.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -75.8 -13.94 60.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.304 0.573 . . . . 0.0 110.127 175.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 9.1 p -61.16 126.64 86.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.477 -179.138 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 126' ' ' THR . 75.4 Cg_endo -91.3 126.38 1.04 Allowed 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 122.895 2.397 . . . . 0.0 113.141 -179.21 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.11 -6.4 19.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.316 176.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 64.31 -167.28 0.22 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.282 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 2.2 pp0? -116.41 124.36 49.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.141 0.496 . . . . 0.0 111.216 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -156.65 -21.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.156 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 7.4 t -96.04 115.76 27.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.258 0.551 . . . . 0.0 109.716 173.703 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 31.4 m -109.93 147.5 14.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.612 -175.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 60.09 90.17 0.06 Allowed 'General case' 0 C--O 1.234 0.264 0 O-C-N 124.027 0.83 . . . . 0.0 111.271 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.423 ' O ' HD12 ' A' ' 135' ' ' LEU . 4.0 pp -104.23 135.59 45.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.039 -179.516 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 65.22 109.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.034 -0.984 . . . . 0.0 113.226 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -147.31 86.92 1.63 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.422 168.631 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -87.14 159.04 19.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.215 -178.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -154.45 150.54 27.97 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.044 -0.263 . . . . 0.0 111.102 -175.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 7.9 t60 76.05 101.47 0.07 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.999 0.812 . . . . 0.0 111.646 175.521 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -106.03 -35.59 7.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.221 173.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 . . . . . 0 C--O 1.249 1.071 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.559 175.197 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.888 0.375 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.18 119.11 23.5 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.029 0.443 . . . . 0.0 111.536 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -96.59 79.2 3.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 173.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.03 126.43 36.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.778 -174.447 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -99.29 106.35 38.37 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.932 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.85 -16.3 16.33 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.851 2.368 . . . . 0.0 111.979 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -129.24 87.38 2.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.408 -0.815 . . . . 0.0 108.918 178.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.9 p -117.15 20.48 13.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.16 -175.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.617 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -51.64 -52.84 44.7 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.424 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.429 ' H ' HD12 ' A' ' 10' ' ' LEU . 6.5 mp -61.74 -40.35 94.79 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.825 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 50.3 t-105 -60.9 -50.32 73.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.946 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.51 -35.46 70.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.572 178.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.617 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 20.4 mmm180 -65.52 -30.09 70.81 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.995 0.426 . . . . 0.0 110.56 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.3 mt -72.31 -45.59 59.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.282 178.417 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.409 HD22 ' HG3' ' A' ' 21' ' ' PRO . 82.5 mt -60.64 -42.16 96.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.603 178.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.2 m -60.22 -25.28 65.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.097 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 ttm-85 -79.94 8.61 6.64 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.102 0.477 . . . . 0.0 110.885 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.24 22.35 25.06 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.108 173.441 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 45.0 m0 -100.83 131.87 46.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.965 0.412 . . . . 0.0 110.967 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.508 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 28.0 mp0 -91.57 133.67 30.72 Favored Pre-proline 0 N--CA 1.446 -0.655 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.902 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 6.3 Cg_exo -78.85 121.92 5.2 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 123.029 2.486 . . . . 0.0 111.562 175.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.7 m -111.35 155.98 12.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.102 0.477 . . . . 0.0 111.698 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -104.94 166.43 10.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.931 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.448 ' HA ' HG12 ' A' ' 83' ' ' ILE . . . -59.36 -42.34 91.34 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -176.435 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 p -90.17 -38.43 13.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.971 0.415 . . . . 0.0 111.49 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 m -72.26 -23.66 61.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.01 -174.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.541 ' O ' HG13 ' A' ' 31' ' ' ILE . 13.6 p -62.01 -31.89 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.423 0.154 . . . . 0.0 110.822 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.55 -51.54 69.42 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.188 0.518 . . . . 0.0 111.106 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.627 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 25.6 t70 -74.17 -28.26 61.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.126 0.489 . . . . 0.0 110.641 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -59.17 -43.05 92.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 172.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 27' ' ' VAL . 75.8 mt -59.05 -40.26 80.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.255 176.132 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.627 ' HB3' ' O ' ' A' ' 29' ' ' ASP . 1.4 tmmm? -51.67 -40.29 59.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.382 174.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -78.1 -46.48 20.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.407 -172.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.2 m -80.69 -40.74 19.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.97 -175.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.94 -51.38 4.07 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 111.657 -0.577 . . . . 0.0 111.657 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -123.56 147.04 47.66 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.1 -174.75 32.53 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.411 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 19.1 m -137.76 142.16 37.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.183 0.516 . . . . 0.0 111.372 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.56 HG13 ' HB3' ' A' ' 73' ' ' ALA . 3.5 mp -113.47 122.27 67.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.225 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.559 ' HB2' HG12 ' A' ' 74' ' ' VAL . 78.4 mt -87.43 119.38 27.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.1 mt -74.57 152.43 39.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.418 0.628 . . . . 0.0 110.987 177.625 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.55 ' HB2' ' CB ' ' A' ' 80' ' ' SER . 7.0 m -103.3 -141.38 0.36 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.758 -176.521 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.528 ' O ' ' HB3' ' A' ' 44' ' ' ASP . 50.4 m 71.56 135.98 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 O-C-N 123.713 0.633 . . . . 0.0 110.685 -177.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.528 ' HB3' ' O ' ' A' ' 43' ' ' SER . 28.7 t70 78.09 116.17 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.542 0 O-C-N 124.059 0.849 . . . . 0.0 110.493 -174.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.29 122.24 9.04 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.908 2.405 . . . . 0.0 113.094 -175.578 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -70.01 91.01 0.66 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.297 0.57 . . . . 0.0 110.788 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.41 ' HE ' ' HB2' ' A' ' 47' ' ' ARG . 44.7 mtm180 -144.58 42.55 1.36 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.2 p 46.9 61.55 13.29 Favored Pre-proline 0 N--CA 1.465 0.314 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.49 -166.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.402 ' HD3' ' H ' ' A' ' 47' ' ' ARG . 58.8 Cg_endo -80.49 -83.33 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 122.225 1.95 . . . . 0.0 112.149 -175.414 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -97.21 -29.75 13.39 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.6 m -131.84 -171.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.096 178.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.3 p -88.44 150.84 22.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.754 0.312 . . . . 0.0 110.878 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.94 90.68 8.0 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -176.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -128.51 84.1 64.17 Favored Pre-proline 0 C--N 1.322 -0.62 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.885 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -93.78 2.88 3.14 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.765 2.31 . . . . 0.0 111.596 173.33 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.2 t -89.12 -38.86 11.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-O 121.222 0.534 . . . . 0.0 110.769 -175.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.9 ttt -75.23 -2.84 29.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.511 -174.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.446 HG12 HD21 ' A' ' 40' ' ' LEU . 11.3 tp -69.84 -29.15 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.53 -32.41 72.34 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.964 176.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.01 -37.6 85.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.006 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.696 HD21 HD22 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -67.12 -45.35 77.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.229 179.794 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.68 -39.86 88.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.606 -176.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -74.69 -2.81 27.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.718 0.294 . . . . 0.0 111.435 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.45 ' C ' ' HD3' ' A' ' 66' ' ' PRO . 57.1 mm-40 -91.35 -7.05 52.0 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 175.303 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -122.42 70.36 34.14 Favored Pre-proline 0 C--O 1.235 0.295 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.446 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.45 ' HD3' ' C ' ' A' ' 64' ' ' GLU . 3.2 Cg_exo -80.96 54.27 5.17 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 123.391 2.727 . . . . 0.0 112.101 -175.616 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -117.63 -36.69 3.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.627 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 5.6 m-85 -106.9 161.54 14.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.144 -178.601 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -90.68 89.68 7.62 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.627 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 77.3 m95 -80.32 132.51 35.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.653 0.74 . . . . 0.0 112.29 -172.484 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -115.26 140.62 48.94 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.406 -1.27 . . . . 0.0 108.962 172.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.9 t -107.62 114.05 45.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.136 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.56 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -115.36 146.16 41.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.616 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.559 HG12 ' HB2' ' A' ' 40' ' ' LEU . 20.9 m -134.67 167.38 26.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.659 -178.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.38 166.16 20.08 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.527 ' CG ' ' H ' ' A' ' 77' ' ' LEU . 5.2 p-10 -70.64 -93.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -177.299 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.527 ' H ' ' CG ' ' A' ' 76' ' ' ASP . 98.1 mt -144.78 -44.44 0.24 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -78.02 -53.68 7.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.847 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.459 ' O ' HG13 ' A' ' 83' ' ' ILE . 1.7 mp0 -60.63 -28.76 68.8 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.616 178.434 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.55 ' CB ' ' HB2' ' A' ' 42' ' ' SER . 3.6 m -56.24 -45.28 80.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.618 178.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -65.7 -40.21 92.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.071 -178.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.72 -36.65 84.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.857 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 79' ' ' GLN . 69.6 mt -65.24 -46.76 89.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-O 120.937 0.399 . . . . 0.0 110.515 177.125 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.3 -37.23 93.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.983 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.71 -48.08 83.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.899 0.38 . . . . 0.0 111.012 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 -60.48 -38.14 83.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.718 -0.673 . . . . 0.0 112.102 -175.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -97.15 -1.38 45.23 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.24 -176.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 80.2 m-20 61.91 64.17 1.04 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.504 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.4 p -67.16 159.46 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.573 173.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.422 ' H ' ' HD2' ' A' ' 90' ' ' ARG . 4.0 mpt_? -67.37 -67.55 0.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.087 -178.612 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -164.68 -43.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.953 0.406 . . . . 0.0 111.381 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -101.48 157.93 32.73 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.405 -176.488 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -49.53 128.23 20.27 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.988 2.459 . . . . 0.0 112.444 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -138.15 161.98 35.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.493 -176.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.491 HG23 HD23 ' A' ' 40' ' ' LEU . 28.1 m -96.43 130.95 43.46 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.756 175.635 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.3 mm? -91.95 124.2 35.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.293 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.1 t -99.94 113.0 34.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.435 -177.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.507 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 34.4 m-85 -111.59 136.82 50.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.32 -178.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 80.6 p -150.09 152.58 35.01 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 176.002 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.4 p30 53.87 19.21 1.85 Allowed 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.734 0.647 . . . . 0.0 112.59 176.287 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.81 -6.96 81.83 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.957 -0.639 . . . . 0.0 113.042 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -116.33 147.53 41.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.671 0.736 . . . . 0.0 112.199 -177.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.507 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 63.9 tp -72.44 122.02 20.55 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.362 175.368 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.721 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -90.14 -36.71 14.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.457 -178.892 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 167.94 179.17 40.37 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.135 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -107.64 160.24 15.84 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -134.67 113.25 11.51 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.7 p -124.45 102.14 7.5 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.954 176.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.443 ' O ' HD12 ' A' ' 116' ' ' LEU . . . 161.09 90.13 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -177.181 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 39.3 mm -92.26 -23.99 5.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.169 0.509 . . . . 0.0 110.73 -173.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.426 ' HB3' ' HD3' ' A' ' 112' ' ' PRO . 5.4 t-80 -85.61 -54.73 0.42 Allowed Pre-proline 0 CA--C 1.541 0.611 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.141 -173.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.426 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 56.4 Cg_endo -70.46 98.35 0.75 Allowed 'Trans proline' 0 C--N 1.358 1.057 0 C-N-CA 121.918 1.745 . . . . 0.0 112.516 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -76.51 -52.1 10.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.245 -174.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.08 -18.29 63.22 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.559 -175.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -91.91 -37.33 12.95 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 120.994 0.426 . . . . 0.0 110.032 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.696 HD22 HD21 ' A' ' 61' ' ' LEU . 7.3 tt -56.86 -50.24 73.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.428 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.571 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 4.3 mm? -53.81 -45.0 70.66 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.818 -177.467 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 21.0 m -63.92 -47.62 79.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.687 0.279 . . . . 0.0 111.384 -177.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 119' ' ' LEU . 4.4 mm? -74.3 -44.49 52.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.33 -177.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -35.92 78.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 110.129 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.571 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -59.09 -43.22 91.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.037 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.2 m -63.32 -30.92 71.97 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 121.211 0.529 . . . . 0.0 110.668 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 65.6 mt -69.52 -38.39 76.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.938 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 29.0 m -100.86 25.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -69.01 -27.9 66.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.873 0.368 . . . . 0.0 110.387 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.2 m 72.12 88.48 0.09 OUTLIER Pre-proline 0 C--O 1.234 0.253 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.211 176.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -83.47 -8.48 10.51 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 123.381 2.721 . . . . 0.0 112.225 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 131' ' ' GLU . . . -60.53 -21.22 62.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.744 -177.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.72 -22.57 67.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.497 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -122.31 -36.22 2.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.709 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.46 ' O ' ' HA ' ' A' ' 128' ' ' ALA . 44.2 tt0 -121.29 100.84 7.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.965 0.412 . . . . 0.0 110.454 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 13.8 t -141.87 167.52 21.93 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.463 ' O ' ' HB2' ' A' ' 134' ' ' GLN . 21.2 t -127.81 -38.83 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -172.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.463 ' HB2' ' O ' ' A' ' 133' ' ' VAL . 1.7 mp0 66.99 99.94 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.596 0.56 . . . . 0.0 109.525 -170.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -103.49 89.36 3.34 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.625 -173.458 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -89.09 174.03 8.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.666 172.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 71.25 5.31 5.4 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.479 0.656 . . . . 0.0 110.671 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -70.2 137.82 51.23 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 176.514 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -67.1 126.12 28.19 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.517 -175.515 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -110.71 152.92 25.98 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.328 -176.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -95.38 147.11 23.86 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 173.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.406 -0.807 . . . . 0.0 109.66 178.139 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.8 mmt . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 64.44 -169.74 0.2 Allowed 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.504 0.502 . . . . 0.0 110.717 -174.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -133.83 4.71 3.59 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.236 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -92.73 129.34 38.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.015 0.436 . . . . 0.0 111.322 -178.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.617 HG22 ' HB2' ' A' ' 76' ' ' ASP . 81.1 p -102.92 173.21 3.64 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.258 175.338 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.63 ' HD3' ' OD1' ' A' ' 76' ' ' ASP . 52.3 Cg_exo -55.32 -42.97 63.12 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 121.915 1.744 . . . . 0.0 111.213 175.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.1 t80 58.71 19.1 6.5 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.058 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.47 160.1 26.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.51 -178.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.13 -29.09 69.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.04 0.447 . . . . 0.0 110.374 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.589 ' H ' HD12 ' A' ' 10' ' ' LEU . 5.3 mp -63.78 -27.97 69.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.23 176.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 42.2 t-105 -81.61 -52.02 7.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.281 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -58.81 -33.6 70.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.147 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.665 ' HG3' HD22 ' A' ' 14' ' ' LEU . 11.1 ptp180 -63.88 -29.74 70.9 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -177.557 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.665 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.9 mm? -75.31 -32.34 60.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.825 0.345 . . . . 0.0 110.397 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.8 mt -63.93 -30.92 71.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.252 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.7 m -59.93 -26.19 65.75 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.132 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -82.75 10.6 7.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.015 0.435 . . . . 0.0 110.834 -176.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.93 21.18 31.36 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.49 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 38.0 m0 -94.56 130.05 41.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.058 0.456 . . . . 0.0 110.557 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -93.11 122.71 62.85 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.043 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -77.5 115.73 3.95 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.317 2.011 . . . . 0.0 111.76 174.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.3 m -110.8 171.64 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.891 0.377 . . . . 0.0 111.324 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.466 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 45.9 mt-10 -111.44 170.41 8.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.94 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.508 ' HB2' ' HB3' ' A' ' 79' ' ' GLN . . . -72.36 -48.96 37.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.064 0.459 . . . . 0.0 110.95 -176.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.0 m -78.13 -30.06 49.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.07 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m -90.63 -13.02 35.16 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -172.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.469 HG12 ' O ' ' A' ' 24' ' ' ALA . 11.8 p -62.01 -31.48 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.658 0.266 . . . . 0.0 110.9 -179.034 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -59.15 -47.79 84.0 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.232 0.539 . . . . 0.0 110.783 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -65.68 -40.71 92.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.991 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -59.51 -49.24 78.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.797 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 27' ' ' VAL . 92.7 mt -59.78 -42.46 88.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -25.69 68.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.184 0.516 . . . . 0.0 110.354 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -80.37 -46.21 16.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.024 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 m -82.49 -43.47 19.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.256 -175.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.82 -56.88 3.74 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.056 -0.592 . . . . 0.0 111.653 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.404 ' OD1' ' HA ' ' A' ' 99' ' ' THR . 51.4 m-20 -113.97 139.92 48.84 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.384 -0.408 . . . . 0.0 110.072 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.04 174.07 34.34 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.068 -1.063 . . . . 0.0 112.934 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 10.1 m -131.77 127.97 59.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.139 0.495 . . . . 0.0 110.709 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.474 HG13 ' HB3' ' A' ' 73' ' ' ALA . 4.1 mp -111.29 134.57 53.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.163 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.549 HD12 HG12 ' A' ' 74' ' ' VAL . 76.7 mt -87.37 129.01 35.19 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 177.424 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.508 ' HG ' HD21 ' A' ' 96' ' ' LEU . 24.0 mt -79.71 -170.48 2.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.412 0.625 . . . . 0.0 111.836 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.474 ' N ' ' HB2' ' A' ' 80' ' ' SER . 90.3 p -70.58 112.79 7.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.642 -176.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.2 t -89.76 92.08 8.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.129 0.49 . . . . 0.0 111.2 -175.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -153.64 88.81 3.58 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.306 172.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -91.16 98.35 0.23 Allowed 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 123.097 2.531 . . . . 0.0 112.963 -177.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.4 mtp-105 -96.27 -29.61 13.91 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 174.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -93.59 104.18 16.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.063 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.8 m 69.89 90.06 0.08 OUTLIER Pre-proline 0 C--N 1.327 -0.381 0 O-C-N 124.063 0.852 . . . . 0.0 111.011 -177.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -80.55 -162.39 0.18 Allowed 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.979 2.453 . . . . 0.0 111.275 174.833 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 65.53 26.73 11.71 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.195 0.521 . . . . 0.0 110.044 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.459 HG23 ' HA ' ' A' ' 110' ' ' ILE . 14.5 p -159.02 144.69 6.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.78 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.9 m 57.32 42.0 25.73 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.395 0.617 . . . . 0.0 110.835 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.52 -42.24 95.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.844 -178.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.46 ' OD1' HG13 ' A' ' 56' ' ' VAL . 24.3 t-20 -169.05 138.69 1.77 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.057 -0.974 . . . . 0.0 108.605 178.254 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 54' ' ' ASN . 15.0 Cg_exo -70.49 43.59 0.44 Allowed 'Trans proline' 0 CA--C 1.534 0.513 0 C-N-CA 123.337 2.691 . . . . 0.0 114.006 -176.084 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.46 HG13 ' OD1' ' A' ' 54' ' ' ASN . 2.7 m -87.24 79.02 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.786 0.803 . . . . 0.0 109.558 174.198 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.602 ' HB2' ' HZ3' ' A' ' 113' ' ' TRP . 17.7 ptp 168.96 -25.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 113.953 -1.476 . . . . 0.0 108.602 -174.372 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 58' ' ' ILE . 8.6 tp -69.17 -28.71 40.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.602 -171.465 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.511 ' O ' ' HG3' ' A' ' 63' ' ' ARG . . . -67.96 -51.51 46.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 110.707 -178.184 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.447 ' HA ' ' HD2' ' A' ' 63' ' ' ARG . 7.7 pt-20 -70.61 -29.44 65.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.989 -178.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.417 HD21 HD22 ' A' ' 116' ' ' LEU . 1.3 tm? -60.4 -56.95 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.358 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -64.0 -20.66 66.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.732 -178.554 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 59' ' ' ALA . 58.1 mtt180 -72.72 -5.69 39.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.339 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -84.65 -6.51 59.37 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.727 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -119.61 80.61 23.43 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -86.67 43.34 1.02 Allowed 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.846 2.364 . . . . 0.0 112.31 -175.811 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -110.08 -51.25 2.89 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.003 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.579 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 9.4 m-85 -94.41 165.51 12.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.536 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -102.09 82.62 2.24 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.579 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 61.2 m95 -70.38 147.87 49.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.479 -172.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -126.77 131.13 51.37 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 172.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.9 t -92.79 113.95 28.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.474 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -114.31 140.46 48.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.91 -178.299 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.549 HG12 HD12 ' A' ' 40' ' ' LEU . 16.0 m -118.69 142.83 31.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.292 178.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.5 151.11 31.95 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.672 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.84 ' HB3' ' HG2' ' A' ' 79' ' ' GLN . 2.9 t70 -53.87 147.66 11.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.535 175.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.42 -32.83 71.72 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -174.019 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -79.74 -43.27 22.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.998 0.428 . . . . 0.0 110.264 176.671 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.84 ' HG2' ' HB3' ' A' ' 76' ' ' ASP . 11.2 mm-40 -64.21 -34.83 78.99 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.323 -176.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.474 ' HB2' ' N ' ' A' ' 42' ' ' SER . 2.6 p -62.04 -26.98 68.57 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.891 0.701 . . . . 0.0 112.891 -174.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.8 -43.37 88.91 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.154 0.502 . . . . 0.0 109.664 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.8 -34.58 78.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.131 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.5 mt -68.52 -44.18 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.379 177.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.2 -33.0 86.04 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.562 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -70.96 -48.12 55.17 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.33 0.252 . . . . 0.0 111.084 177.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.628 ' NE ' ' HA ' ' A' ' 86' ' ' ARG . 1.0 OUTLIER -52.67 -47.03 67.43 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.092 -177.094 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -88.94 -0.82 57.74 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.361 -177.651 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 57.8 36.4 26.41 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.428 0.455 . . . . 0.0 110.378 -178.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.3 t -61.07 -69.41 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.62 -175.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.419 ' HA ' ' HD2' ' A' ' 90' ' ' ARG . 5.9 tpt180 177.89 -158.45 0.02 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.205 176.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -123.9 29.25 6.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.759 0.314 . . . . 0.0 111.132 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -138.57 158.05 71.06 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -61.93 123.62 12.95 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.875 2.384 . . . . 0.0 112.474 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.495 ' HB1' ' HB1' ' A' ' 106' ' ' ALA . . . -151.45 159.88 43.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.638 -179.063 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.413 HG23 HD23 ' A' ' 40' ' ' LEU . 6.4 m -99.03 136.84 38.41 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.756 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.0 mm? -91.68 125.27 36.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.838 0.352 . . . . 0.0 110.561 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.6 t -95.06 100.06 10.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.065 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.462 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 25.3 m-85 -103.81 136.35 43.65 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.368 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.404 ' HA ' ' OD1' ' A' ' 36' ' ' ASP . 0.2 OUTLIER -150.73 136.92 18.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.978 -178.232 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 57.58 17.13 3.76 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.955 0.902 . . . . 0.0 111.943 -178.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.77 -11.54 70.92 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.249 -176.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.11 148.72 29.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.378 0.608 . . . . 0.0 112.267 -179.268 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 65.6 tp -82.99 136.1 34.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.349 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.6 mmt-85 -100.12 -39.34 8.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.847 176.841 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 165.51 -166.91 38.69 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.088 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.495 ' HB1' ' HB1' ' A' ' 94' ' ' ALA . . . -111.92 156.26 22.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.673 0.273 . . . . 0.0 110.919 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -135.32 127.8 30.55 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.1 m -102.31 143.1 32.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.965 -176.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -81.24 92.12 1.47 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.983 -0.627 . . . . 0.0 111.765 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.459 ' HA ' HG23 ' A' ' 51' ' ' VAL . 31.7 pt -90.42 166.58 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.958 0.408 . . . . 0.0 111.401 -176.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.435 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 14.0 m170 -84.47 -52.89 0.52 Allowed Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.921 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 111' ' ' HIS . 39.1 Cg_endo -67.34 99.07 0.48 Allowed 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 121.72 1.613 . . . . 0.0 112.316 178.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.602 ' HZ3' ' HB2' ' A' ' 57' ' ' MET . 6.5 t-105 -77.76 111.49 13.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.37 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 176.67 -62.89 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.008 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -68.75 -28.33 66.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.254 -175.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.417 HD22 HD21 ' A' ' 61' ' ' LEU . 6.3 tt -56.41 -41.67 76.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.117 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.23 -56.97 15.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.483 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 27.8 m -63.79 -39.92 95.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.486 -178.214 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.419 ' O ' HG12 ' A' ' 123' ' ' ILE . 2.0 tm? -65.51 -51.35 60.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.729 0.3 . . . . 0.0 110.353 -176.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 27.3 ttt -69.07 -36.42 77.62 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.039 -177.617 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -63.61 -35.54 80.87 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.685 0.279 . . . . 0.0 111.222 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.0 t -66.42 -30.17 70.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.033 0.444 . . . . 0.0 110.512 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 119' ' ' LEU . 51.8 mm -79.36 -47.45 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 26.7 m -83.33 5.86 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.456 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -60.04 -29.24 68.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.014 0.435 . . . . 0.0 110.407 178.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 65.0 m 70.52 102.06 0.04 OUTLIER Pre-proline 0 C--O 1.233 0.226 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.079 173.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.89 123.29 7.29 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.992 2.461 . . . . 0.0 111.477 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 65.82 -173.09 0.18 Allowed 'General case' 0 C--N 1.332 -0.171 0 O-C-N 123.662 0.601 . . . . 0.0 111.44 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.28 -13.77 12.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.204 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 73.95 -17.87 0.43 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.229 0.611 . . . . 0.0 111.421 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.425 ' O ' ' HB ' ' A' ' 132' ' ' THR . 33.7 mt-10 71.1 155.89 0.15 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.425 0.69 . . . . 0.0 110.084 -170.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' ' 131' ' ' GLU . 37.8 m 72.42 112.61 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 -161.366 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.461 ' C ' ' H ' ' A' ' 135' ' ' LEU . 23.6 m -81.38 -19.09 11.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -166.198 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 67.45 -9.69 0.4 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.714 0.405 . . . . 0.0 111.568 -174.452 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.461 ' H ' ' C ' ' A' ' 133' ' ' VAL . 1.4 tt -79.13 77.31 5.63 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 175.108 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -90.05 100.14 13.02 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.766 -170.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' HIS . . . . . 0.558 ' O ' ' HB2' ' A' ' 138' ' ' HIS . 78.9 t60 69.95 -6.46 1.08 Allowed 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 170.406 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.558 ' HB2' ' O ' ' A' ' 137' ' ' HIS . 12.6 m-70 71.78 155.75 0.16 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.832 0.453 . . . . 0.0 110.072 -171.212 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -67.29 121.16 15.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.162 0.506 . . . . 0.0 110.198 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -98.64 134.03 42.15 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -151.64 139.66 20.1 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.069 0.462 . . . . 0.0 110.539 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 . . . . . 0 C--O 1.246 0.906 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.087 178.047 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ttt . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 120.74 0.305 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.62 100.68 2.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.508 -176.552 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -83.69 -16.65 44.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 174.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -57.35 -36.02 70.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.683 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.3 m 57.47 79.85 0.31 Allowed Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.626 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -94.6 95.46 0.12 Allowed 'Trans proline' 0 N--CA 1.449 -1.09 0 C-N-CA 123.171 2.581 . . . . 0.0 112.177 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.429 ' CG ' ' N ' ' A' ' 8' ' ' SER . 38.8 t80 64.04 -176.47 0.16 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.027 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.429 ' N ' ' CG ' ' A' ' 7' ' ' PHE . 22.8 m -77.15 69.2 3.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.277 0.561 . . . . 0.0 109.928 175.73 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.64 88.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.286 -177.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.714 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 9.4 mp -60.95 -52.25 65.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.319 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.447 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 69.1 t-105 -61.24 -58.9 6.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.423 -175.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -53.63 -39.56 65.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.111 -177.56 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.457 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 34.1 mmt180 -73.07 -31.63 64.51 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -177.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.714 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 77.9 mt -68.99 -30.43 68.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.177 0.513 . . . . 0.0 109.956 177.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.499 HD22 ' HG3' ' A' ' 21' ' ' PRO . 77.2 mt -63.14 -43.37 98.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.745 173.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 m -69.69 -26.64 64.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.969 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -70.95 -24.78 62.49 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.598 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.47 27.14 4.54 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.205 173.179 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.594 ' CZ3' HD22 ' A' ' 14' ' ' LEU . 52.2 m0 -99.43 144.05 28.98 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.747 0.308 . . . . 0.0 110.694 177.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.421 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 56.6 tp60 -82.16 123.37 79.56 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.115 -174.264 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.499 ' HG3' HD22 ' A' ' 15' ' ' LEU . 2.8 Cg_exo -74.97 107.73 2.55 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.876 2.384 . . . . 0.0 111.062 175.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.8 m -109.65 156.19 10.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.33 0.586 . . . . 0.0 112.251 -174.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.445 ' HB2' HG22 ' A' ' 26' ' ' THR . 26.6 mt-10 -111.37 165.27 12.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.069 -0.969 . . . . 0.0 108.811 176.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.37 -27.81 68.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.099 0.476 . . . . 0.0 111.114 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.8 p -76.8 -58.45 3.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.219 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.445 HG22 ' HB2' ' A' ' 23' ' ' GLU . 10.0 t -76.21 -20.22 57.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.3 -173.529 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.2 p -59.77 -37.54 71.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 121.024 -0.271 . . . . 0.0 111.262 -176.626 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.68 -45.51 92.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.124 0.488 . . . . 0.0 110.335 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.91 -38.46 76.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.447 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -59.53 -48.7 80.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.689 177.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.1 mt -61.88 -43.13 96.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.421 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -60.2 -30.21 69.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.284 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 33' ' ' ARG . 20.2 ttt180 -80.39 -46.57 15.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.578 -176.153 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.4 m -82.64 -34.07 11.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.055 0.455 . . . . 0.0 111.283 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.54 -55.28 4.98 Favored Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 111.674 -0.571 . . . . 0.0 111.674 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -120.83 133.41 55.31 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -175.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.92 177.88 39.51 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.268 -0.968 . . . . 0.0 112.482 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 29.4 m -130.03 140.49 48.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.144 0.497 . . . . 0.0 110.927 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.535 HG13 ' HB3' ' A' ' 73' ' ' ALA . 3.4 mp -113.89 127.66 71.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.922 178.184 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.7 mt -102.9 130.16 49.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.695 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.0 mt -82.48 159.2 22.94 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.149 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.5 t -56.1 114.69 2.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.092 0.472 . . . . 0.0 110.31 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.4 m -84.42 53.09 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.357 -174.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.453 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 36.1 t70 -83.92 -52.45 0.57 Allowed Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.352 177.028 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.638 ' HG2' ' HD3' ' A' ' 93' ' ' PRO . 49.1 Cg_endo -71.78 140.0 34.65 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 121.801 1.667 . . . . 0.0 110.973 169.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.689 HH21 HD21 ' A' ' 10' ' ' LEU . 57.6 mtt85 -138.18 136.09 36.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.67 0.272 . . . . 0.0 110.925 -173.204 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 50.6 ttt-85 -70.65 -54.75 10.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.998 0.428 . . . . 0.0 110.306 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.1 p -110.37 136.94 20.53 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.019 -178.283 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.71 -21.96 64.57 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.734 2.29 . . . . 0.0 112.477 177.308 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -96.93 134.9 39.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.713 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 83.7 t 76.25 -32.55 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 123.46 0.704 . . . . 0.0 112.872 169.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.6 t -77.36 9.52 3.15 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -174.067 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.41 -58.83 5.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 111.112 178.206 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -125.7 137.84 30.78 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.018 -175.656 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -77.14 93.54 1.08 Allowed 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.509 2.139 . . . . 0.0 112.085 175.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.2 t -116.31 -27.23 2.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.411 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 86.0 mtp -88.86 11.04 19.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.867 -174.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.4 tp -82.57 -14.67 12.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.174 0.511 . . . . 0.0 110.184 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.04 -52.52 14.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.146 -173.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -63.37 -28.63 70.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 111.44 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.499 HD11 ' SD ' ' A' ' 120' ' ' MET . 2.4 tm? -56.12 -56.59 18.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.805 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.73 -22.65 65.55 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.164 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -72.84 -11.64 60.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.575 0.226 . . . . 0.0 111.018 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -89.21 -12.48 40.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.87 0.367 . . . . 0.0 110.458 -175.304 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -117.68 76.81 10.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.351 . . . . 0.0 110.623 178.206 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -87.55 43.52 0.91 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.673 2.249 . . . . 0.0 112.004 -176.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -96.74 -41.57 8.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.065 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -117.57 178.89 4.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.047 -177.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -104.33 105.5 15.66 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 172.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 36.1 m95 -94.4 143.45 26.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.142 -175.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -118.05 156.71 28.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.127 171.008 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.2 t -117.67 125.67 74.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.041 0.448 . . . . 0.0 110.252 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.535 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -118.55 153.88 33.48 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.37 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.7 m -129.52 146.21 34.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.077 0.465 . . . . 0.0 111.806 -178.268 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.56 129.44 49.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.154 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.488 ' OD2' ' HG ' ' A' ' 77' ' ' LEU . 21.3 t70 -46.96 -84.9 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 O-C-N 124.002 0.814 . . . . 0.0 112.614 -176.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.488 ' HG ' ' OD2' ' A' ' 76' ' ' ASP . 4.0 pp -165.05 -41.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 173.702 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.403 ' N ' HD12 ' A' ' 77' ' ' LEU . 42.8 tt0 -68.98 -42.45 76.55 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 171.337 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -62.79 -32.83 74.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.532 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.7 m -61.37 -36.28 79.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.524 0.202 . . . . 0.0 111.091 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.46 -49.73 74.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.246 0.546 . . . . 0.0 110.189 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.93 69.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.424 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.7 mt -61.88 -45.46 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.144 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.407 ' HA2' HG12 ' A' ' 89' ' ' VAL . . . -60.81 -43.75 98.84 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.123 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -66.49 -42.25 87.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.921 0.391 . . . . 0.0 110.973 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.0 tpt85 -61.7 -38.47 87.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.835 -177.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -93.21 0.8 57.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.195 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 60.75 36.23 19.38 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.071 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.407 HG12 ' HA2' ' A' ' 84' ' ' GLY . 7.6 p -95.42 27.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.53 0.681 . . . . 0.0 110.342 -176.542 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.431 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 12.5 mmt85 66.5 -153.39 0.23 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.796 -177.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -127.19 56.69 1.51 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.915 0.388 . . . . 0.0 110.711 -177.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 90' ' ' ARG . 54.5 p90 -144.24 154.43 57.41 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 176.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.638 ' HD3' ' HG2' ' A' ' 45' ' ' PRO . 21.2 Cg_endo -63.01 116.67 3.71 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.27 1.98 . . . . 0.0 112.467 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.56 144.81 32.1 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.639 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.421 ' HB ' ' HB3' ' A' ' 107' ' ' LEU . 17.0 m -76.85 126.65 31.34 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.255 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.3 mm? -91.33 123.86 35.09 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 176.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 47.0 t -102.44 105.37 17.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.474 -176.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.508 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 41.3 m-85 -107.9 137.73 45.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.336 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.4 133.76 17.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.653 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.3 t70 65.31 15.11 9.84 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.689 0.757 . . . . 0.0 110.72 -176.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.34 0.43 88.42 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.101 -177.168 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LYS . . . . . 0.562 ' HD3' ' N ' ' A' ' 103' ' ' LEU . 12.7 tmtt? -112.03 144.63 41.07 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -177.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.562 ' N ' ' HD3' ' A' ' 102' ' ' LYS . 58.0 tp -78.98 110.5 14.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.539 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -77.98 -38.34 45.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.501 178.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 170.42 -173.74 44.36 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.089 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -117.83 166.12 12.85 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.748 HD11 ' HG ' ' A' ' 116' ' ' LEU . 0.5 OUTLIER -130.97 101.06 5.46 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -177.958 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.7 t -90.03 154.23 19.98 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.682 175.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -83.74 79.55 1.9 Allowed Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.952 178.191 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.602 ' H ' HD12 ' A' ' 110' ' ' ILE . 3.8 mp -64.11 -46.03 94.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.451 0.643 . . . . 0.0 109.272 176.398 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 77.3 m80 -142.0 150.41 55.95 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 174.57 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -63.06 102.88 0.33 Allowed 'Trans proline' 0 C--O 1.236 0.407 0 C-N-CA 122.367 2.044 . . . . 0.0 111.798 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 61.12 -168.84 0.17 Allowed 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.63 -178.695 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 67.93 -72.95 0.09 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.63 0.772 . . . . 0.0 111.666 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 -63.78 -29.26 70.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.074 0.464 . . . . 0.0 110.557 -177.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.748 ' HG ' HD11 ' A' ' 107' ' ' LEU . 6.5 tt -55.84 -45.59 78.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.734 -179.182 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.615 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 3.4 mm? -58.28 -46.44 86.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.575 -176.151 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.5 m -70.12 -39.36 75.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.324 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 119' ' ' LEU . 1.3 tm? -70.96 -50.81 30.46 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.876 0.37 . . . . 0.0 110.636 -176.536 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.499 ' SD ' HD11 ' A' ' 61' ' ' LEU . 28.3 ttt -70.08 -22.78 63.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.834 -177.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.615 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 39.2 ttt180 -55.56 -43.97 76.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.593 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 36.4 t -75.47 -29.92 59.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.72 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 47.7 mm -62.9 -48.31 88.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.966 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 35.6 m -95.33 13.92 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.695 -176.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -58.7 -65.06 0.72 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.209 -176.546 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 61.9 m 68.97 113.29 0.03 OUTLIER Pre-proline 0 CA--C 1.534 0.356 0 CA-C-O 121.175 0.512 . . . . 0.0 112.141 176.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.49 178.52 5.53 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.381 2.054 . . . . 0.0 111.809 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.95 65.95 6.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.144 0.497 . . . . 0.0 111.226 -176.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -91.39 -26.92 18.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.399 0.619 . . . . 0.0 109.648 174.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -110.69 -23.76 10.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.88 177.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 61.37 88.49 0.09 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.743 -176.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.2 t -91.81 117.3 29.65 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.26 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.1 p -127.98 119.22 50.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.464 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 64.3 83.48 0.16 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.936 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 22.5 tp -136.69 18.3 3.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.443 0.64 . . . . 0.0 109.85 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -72.17 105.1 3.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.017 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -92.02 91.45 7.84 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 174.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -77.31 122.88 25.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.507 -176.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -75.12 147.02 40.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.172 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -88.88 -55.32 3.74 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 177.49 -53.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 41.2 t60 . . . . . 0 C--O 1.245 0.848 0 CA-C-N 114.904 -1.044 . . . . 0.0 108.492 175.543 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.716 0.293 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -176.28 -56.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.1 m120 65.81 77.13 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.347 169.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -136.3 -48.97 0.66 Allowed 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 172.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.4 m 56.95 78.7 0.36 Allowed Pre-proline 0 C--O 1.235 0.337 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.719 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -80.38 -165.15 0.32 Allowed 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.516 2.144 . . . . 0.0 111.591 176.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -49.6 -52.56 29.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.974 177.766 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.407 ' HB2' ' HB3' ' A' ' 11' ' ' TRP . 17.6 m 66.66 104.07 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.217 0 O-C-N 123.797 0.685 . . . . 0.0 111.554 176.803 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -60.0 -47.51 85.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.94 -175.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.575 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 93.4 mt -67.67 -33.95 75.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.252 -178.163 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.538 ' CZ3' ' HA ' ' A' ' 76' ' ' ASP . 67.6 t-105 -59.15 -58.12 10.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.746 -174.525 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -53.73 -42.36 68.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.048 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 17.8 mmm180 -61.79 -28.22 69.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.404 -177.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 69.3 mt -73.46 -45.83 51.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 176.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.36 -47.17 80.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.011 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.7 m -59.9 -25.74 65.34 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.108 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.489 ' HD2' ' CZ2' ' A' ' 19' ' ' TRP . 7.5 ttm180 -70.34 -11.88 61.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.372 -179.155 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.26 29.39 4.54 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.159 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.502 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 33.9 m0 -107.55 144.27 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.83 0.347 . . . . 0.0 110.773 -178.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -107.35 133.44 20.36 Favored Pre-proline 0 N--CA 1.448 -0.562 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -75.86 123.59 7.5 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.342 2.028 . . . . 0.0 111.476 174.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.1 m -111.08 158.19 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.196 0.522 . . . . 0.0 111.689 -177.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -114.78 168.95 9.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.621 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.411 ' HA ' HG12 ' A' ' 83' ' ' ILE . . . -65.98 -36.59 83.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.937 0.398 . . . . 0.0 111.033 -177.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.8 p -100.1 4.35 44.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.393 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.3 m -116.83 -20.14 9.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.828 0.347 . . . . 0.0 110.971 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 31' ' ' ILE . 11.4 p -61.56 -36.78 75.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.485 -176.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.423 ' HA ' HD12 ' A' ' 31' ' ' ILE . 7.4 p-10 -66.26 -29.31 69.52 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.076 0.465 . . . . 0.0 110.641 -178.54 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -74.55 -38.97 62.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.013 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -65.42 -43.31 90.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.347 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 27' ' ' VAL . 84.9 mt -56.28 -46.63 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.713 177.227 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.437 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -63.98 -27.59 69.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.092 178.712 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -44.06 25.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.921 -176.643 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.2 m -86.31 -42.72 15.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.65 -54.07 4.36 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.447 -176.106 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -124.94 141.25 52.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.89 -178.49 39.3 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.565 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.0 m -131.99 139.76 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.035 0.445 . . . . 0.0 110.933 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.448 ' HB ' ' HB2' ' A' ' 96' ' ' LEU . 3.3 mp -109.8 124.92 66.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.055 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.7 mt -101.49 121.57 42.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.492 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.2 mt -76.79 159.45 30.1 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.563 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 10.4 t -53.32 113.65 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 178.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.7 m -80.07 94.02 5.88 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.107 -177.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -84.41 118.11 70.35 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.695 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.497 ' HA ' ' OD1' ' A' ' 53' ' ' ASP . 26.3 Cg_exo -62.83 83.79 0.11 Allowed 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.967 2.444 . . . . 0.0 112.315 -178.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -125.66 8.0 7.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.055 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -75.39 -66.18 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.555 HG23 ' H ' ' A' ' 51' ' ' VAL . 2.0 t -159.75 146.38 12.31 Favored Pre-proline 0 N--CA 1.448 -0.568 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.641 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.65 -12.86 37.0 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.547 2.164 . . . . 0.0 112.01 175.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -75.59 -63.22 1.34 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.548 0.689 . . . . 0.0 110.331 178.267 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.555 ' H ' HG23 ' A' ' 48' ' ' THR . 39.2 t -111.25 106.63 21.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.097 -178.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.0 t -78.03 134.38 37.79 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.497 ' OD1' ' HA ' ' A' ' 45' ' ' PRO . 7.7 p-10 -76.78 84.71 3.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.97 0.89 . . . . 0.0 110.841 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -96.25 138.4 21.57 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.15 178.16 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.68 44.95 0.8 Allowed 'Trans proline' 0 CA--C 1.535 0.54 0 C-N-CA 123.094 2.529 . . . . 0.0 112.424 176.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.434 ' HA ' HH12 ' A' ' 17' ' ' ARG . 7.2 p -100.72 -10.73 8.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.3 0.571 . . . . 0.0 110.591 -176.757 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 66.0 mtm -110.85 4.99 20.25 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.124 -175.128 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.1 tp -81.52 -20.49 10.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.039 0.447 . . . . 0.0 110.751 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.496 ' O ' ' HG ' ' A' ' 62' ' ' LEU . . . -69.28 -49.39 56.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.123 -176.4 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.456 ' CD ' ' H ' ' A' ' 60' ' ' GLU . 1.7 pm0 -59.81 -29.91 68.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.305 177.612 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.897 HD11 ' HG3' ' A' ' 120' ' ' MET . 2.4 tm? -69.31 -57.49 5.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.151 178.117 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 4.0 pp -61.98 -36.18 80.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.786 -175.323 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -73.96 2.61 8.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.729 -176.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -91.09 -13.94 32.17 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.519 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -115.23 82.72 9.39 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.897 -178.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -86.38 43.14 1.03 Allowed 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.726 2.284 . . . . 0.0 112.208 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -101.21 -44.72 5.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.597 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.475 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 4.2 m-85 -108.94 171.43 7.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.632 178.779 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -99.77 93.14 5.65 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 173.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.475 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 36.7 m95 -82.14 137.11 35.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.151 -174.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -121.52 148.22 44.76 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.345 170.138 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.502 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 28.3 t -108.22 131.57 58.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 120.922 0.391 . . . . 0.0 110.332 -178.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.447 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -114.82 147.69 39.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.123 177.388 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.0 m -118.7 137.38 52.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.982 0.42 . . . . 0.0 110.773 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.404 ' HB1' HD12 ' A' ' 83' ' ' ILE . . . -87.69 17.66 4.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.243 -178.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.538 ' HA ' ' CZ3' ' A' ' 11' ' ' TRP . 25.2 t70 61.12 -107.44 0.29 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.669 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.563 ' HA ' ' HB2' ' A' ' 42' ' ' SER . 5.3 mp -148.71 -58.05 0.22 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 176.044 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -61.29 -50.31 73.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.342 -177.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 28.0 mp0 -67.35 -23.75 65.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.987 -176.092 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.3 m -54.37 -39.95 67.68 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -175.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -68.88 -40.53 79.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.88 0.371 . . . . 0.0 110.329 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.54 -41.74 79.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.865 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.411 HG12 ' HA ' ' A' ' 24' ' ' ALA . 65.2 mt -67.14 -40.61 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.428 178.212 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.74 -38.15 95.99 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.919 -0.657 . . . . 0.0 111.524 174.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -63.29 -37.79 88.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.225 0.536 . . . . 0.0 110.602 175.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -67.38 -35.32 79.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.303 -177.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -98.68 -2.13 39.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.623 0.249 . . . . 0.0 111.221 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 66.5 27.64 9.68 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.159 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.9 t -128.43 112.68 27.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.635 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.426 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 13.4 ptt180 -156.32 -165.95 2.03 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.825 -0.171 . . . . 0.0 111.337 -175.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.426 ' HB3' ' O ' ' A' ' 90' ' ' ARG . 52.2 ttp180 74.62 -50.6 0.67 Allowed 'General case' 0 N--CA 1.47 0.527 0 O-C-N 124.037 0.836 . . . . 0.0 110.771 -177.309 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -114.54 123.78 31.7 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 175.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.66 122.48 11.83 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 122.512 2.142 . . . . 0.0 111.492 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.494 ' HB1' ' H ' ' A' ' 108' ' ' SER . . . -138.28 153.89 49.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.188 -173.112 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.6 m -84.36 126.74 33.5 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.195 175.492 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.448 ' HB2' ' HB ' ' A' ' 39' ' ' ILE . 3.6 mm? -92.35 124.56 36.5 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 173.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.532 HG11 HG21 ' A' ' 123' ' ' ILE . 28.0 t -102.72 117.52 48.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.092 0.472 . . . . 0.0 110.889 -175.124 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.401 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 23.9 m-85 -114.99 135.86 53.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.337 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.32 138.01 19.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.492 176.651 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 61.99 23.94 14.18 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.339 0.399 . . . . 0.0 110.643 -176.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.41 15.63 75.16 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.161 -175.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -118.6 144.96 45.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.868 0.366 . . . . 0.0 110.696 -178.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.401 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 58.8 tp -86.02 122.42 30.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.919 177.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -86.58 -31.55 21.14 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.031 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 147.75 -168.69 28.65 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.581 178.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.33 168.46 9.14 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 107' ' ' LEU . 0.2 OUTLIER -91.29 -39.29 12.14 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 179.65 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.494 ' H ' ' HB1' ' A' ' 94' ' ' ALA . 50.1 m 56.23 29.89 15.64 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.863 -178.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -62.76 110.01 3.04 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.804 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 16.8 tt -109.25 -10.78 11.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.734 0.778 . . . . 0.0 109.041 175.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 27.9 m170 -108.43 133.03 20.73 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.866 176.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 111' ' ' HIS . 80.4 Cg_exo -48.75 -73.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.476 0.465 0 C-N-CA 123.473 2.782 . . . . 0.0 114.08 -171.53 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 6.5 t-105 -148.66 119.84 7.78 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.148 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 178.59 -70.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.501 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -74.46 -17.3 60.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.302 -178.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.93 -39.75 78.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.435 -177.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.94 -50.83 70.57 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.1 m -57.38 -50.17 73.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.143 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.16 -49.58 76.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.134 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.897 ' HG3' HD11 ' A' ' 61' ' ' LEU . 11.7 mmt -58.97 -39.87 83.06 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.416 ' HA ' HG22 ' A' ' 124' ' ' VAL . 25.1 mmt180 -64.33 -39.97 94.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.059 0.457 . . . . 0.0 111.007 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.7 t -65.36 -30.4 71.23 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.648 176.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.532 HG21 HG11 ' A' ' 97' ' ' VAL . 81.5 mt -78.07 -47.21 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.373 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' A' ' 121' ' ' ARG . 32.9 m -75.1 0.16 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.018 0.437 . . . . 0.0 111.329 -178.702 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -66.87 -46.16 75.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.597 175.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.571 ' HB ' ' HD2' ' A' ' 127' ' ' PRO . 68.1 p 59.76 162.3 0.1 OUTLIER Pre-proline 0 N--CA 1.475 0.804 0 C-N-CA 124.806 1.242 . . . . 0.0 113.233 173.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.571 ' HD2' ' HB ' ' A' ' 126' ' ' THR . 32.7 Cg_endo -67.22 -13.54 39.93 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.504 2.136 . . . . 0.0 112.378 175.103 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 60.32 97.11 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.348 0.659 . . . . 0.0 112.288 176.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 53.66 76.48 0.22 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.231 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -122.24 -76.02 0.59 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.155 -177.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -144.46 100.39 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.141 0.496 . . . . 0.0 110.513 177.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 61.5 m -130.98 102.7 6.15 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.762 178.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 26.9 m -77.23 150.83 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.436 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 52.1 tt0 -144.03 91.32 2.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.59 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.646 ' HG ' ' HB3' ' A' ' 138' ' ' HIS . 6.0 tt 62.57 99.71 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.852 0.72 . . . . 0.0 111.131 176.102 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -95.2 -76.22 0.5 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.13 0.49 . . . . 0.0 109.973 177.41 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -114.21 8.85 16.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.343 0.592 . . . . 0.0 109.593 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.646 ' HB3' ' HG ' ' A' ' 135' ' ' LEU . 16.8 t60 -60.92 113.6 2.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.658 -178.336 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -76.37 140.29 41.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.935 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -72.45 120.15 17.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.465 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -113.19 143.24 44.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.905 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 31.0 m170 . . . . . 0 C--O 1.243 0.748 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.25 173.906 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptm . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 120.876 0.37 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.62 -55.66 1.91 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.641 173.589 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -171.4 -44.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.43 174.672 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.6 t70 68.43 110.42 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.556 0.742 . . . . 0.0 111.94 175.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.464 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 3.0 m -96.16 118.08 65.82 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.122 178.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 3.8 Cg_endo -85.68 -6.32 8.83 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.916 2.411 . . . . 0.0 112.605 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -125.42 -174.97 3.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.172 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.3 t 66.33 85.6 0.14 Allowed 'General case' 0 C--N 1.333 -0.152 0 O-C-N 123.77 0.668 . . . . 0.0 109.749 -177.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.31 89.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.691 -174.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.2 tt -63.19 -29.14 70.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.369 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -86.48 -53.82 4.77 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.274 178.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -58.95 -25.84 63.88 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.468 -174.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.69 ' HG3' HD22 ' A' ' 14' ' ' LEU . 26.2 ptt180 -58.69 -29.57 66.74 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.503 0.192 . . . . 0.0 111.404 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.69 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.2 mm? -74.36 -32.71 62.87 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.109 0.481 . . . . 0.0 110.203 178.378 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.44 ' HA ' ' O ' ' A' ' 19' ' ' TRP . 20.7 mt -69.28 -35.28 75.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.954 -177.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.7 m -61.86 -25.32 67.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.453 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -76.43 -4.36 42.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.943 0.401 . . . . 0.0 110.801 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.91 10.58 39.71 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.932 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.56 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 42.2 m0 -96.54 131.82 42.77 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.855 0.359 . . . . 0.0 110.502 -177.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -80.79 134.67 53.19 Favored Pre-proline 0 N--CA 1.449 -0.505 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.397 -175.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -79.31 100.98 1.37 Allowed 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.559 2.173 . . . . 0.0 111.557 176.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.0 m -99.78 163.44 2.85 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.821 0 CA-C-O 121.963 0.887 . . . . 0.0 111.797 -177.412 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.35 -164.17 1.0 Allowed 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 114.091 -1.413 . . . . 0.0 109.986 -172.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.11 -29.98 20.2 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.272 0.558 . . . . 0.0 110.099 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.0 t -95.65 -49.86 5.19 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.094 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.8 p -71.64 -13.75 61.85 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -173.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.16 -30.47 48.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 120.777 0.322 . . . . 0.0 110.74 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -67.96 -45.93 72.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.127 0.489 . . . . 0.0 109.889 -179.034 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.2 -37.03 77.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.545 -178.353 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.422 ' O ' HG22 ' A' ' 34' ' ' VAL . 90.5 t90 -55.97 -49.8 72.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.673 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.0 mt -60.1 -45.5 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.636 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -58.39 -37.25 74.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.027 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.2 ttt-85 -75.61 -46.12 33.55 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.57 -173.622 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 30' ' ' TRP . 33.3 m -85.73 -37.06 11.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.019 -174.02 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.73 -53.67 4.73 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.049 -0.596 . . . . 0.0 111.903 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -115.43 123.7 49.27 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -178.481 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.18 173.49 41.88 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.479 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 13.6 m -132.58 139.58 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.963 0.411 . . . . 0.0 110.998 -179.148 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.6 mp -104.47 125.46 59.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.905 177.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.486 ' HB2' HG12 ' A' ' 74' ' ' VAL . 23.5 mt -102.12 128.2 48.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.416 176.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.4 mt -81.44 154.1 26.55 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 173.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.423 ' CB ' ' HA ' ' A' ' 77' ' ' LEU . 48.3 t -52.66 127.3 22.57 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.481 0.488 . . . . 0.0 110.687 179.021 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.5 m -54.52 101.06 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 123.784 0.678 . . . . 0.0 111.348 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -139.39 125.72 12.34 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 177.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.07 -43.54 55.56 Favored 'Trans proline' 0 CA--C 1.528 0.21 0 C-N-CA 122.867 2.378 . . . . 0.0 112.693 -176.403 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 46' ' ' ARG . 61.9 mtt-85 49.82 86.88 0.03 OUTLIER 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.681 0.613 . . . . 0.0 112.004 -177.627 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 75.1 -61.58 0.48 Allowed 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.087 178.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 20.6 p -123.94 119.09 26.77 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -174.522 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 48' ' ' THR . 5.7 Cg_exo -78.41 15.41 1.4 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.46 2.773 . . . . 0.0 112.176 177.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.455 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 36.5 tt0 -60.78 136.31 58.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.706 178.368 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.455 ' HB ' ' O ' ' A' ' 50' ' ' GLU . 88.5 t 79.18 -30.26 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 123.316 0.647 . . . . 0.0 110.212 -174.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 50' ' ' GLU . 25.9 t 77.44 -93.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 123.873 0.869 . . . . 0.0 112.369 171.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.579 ' OD2' ' HD3' ' A' ' 55' ' ' PRO . 20.3 t70 -177.36 -82.78 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -170.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 53.52 73.45 0.92 Allowed Pre-proline 0 N--CA 1.469 0.486 0 C-N-CA 123.042 0.537 . . . . 0.0 112.122 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.579 ' HD3' ' OD2' ' A' ' 53' ' ' ASP . 97.5 Cg_endo -79.08 2.52 8.23 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.633 2.222 . . . . 0.0 112.32 -176.476 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.3 t -101.15 -21.73 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.456 0.646 . . . . 0.0 109.604 176.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.3 tpt -80.92 -23.48 38.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.144 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.1 tt -67.0 -18.8 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.095 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.31 -46.21 91.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.988 0.423 . . . . 0.0 110.433 177.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -64.16 -30.88 71.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.46 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.411 HD21 HD22 ' A' ' 116' ' ' LEU . 0.8 OUTLIER -59.38 -57.36 13.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.222 0.534 . . . . 0.0 110.035 179.5 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.6 mt -68.39 -27.38 66.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.739 -176.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -67.87 -13.24 61.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.601 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -82.71 -9.55 59.31 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -117.75 81.42 15.11 Favored Pre-proline 0 N--CA 1.452 -0.327 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.0 176.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -83.79 13.71 2.61 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.973 2.448 . . . . 0.0 112.037 -177.33 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -67.32 -43.13 82.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.113 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.72 166.91 15.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.739 -178.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -92.75 100.48 12.96 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 168.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -76.33 148.85 37.18 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.54 -172.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 5.0 mt-30 -123.3 133.28 54.17 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.138 175.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.56 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 17.0 t -104.43 126.03 59.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.231 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.77 134.7 54.16 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.067 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.486 HG12 ' HB2' ' A' ' 40' ' ' LEU . 6.2 m -118.63 149.71 21.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.666 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 79' ' ' GLN . . . -119.84 146.55 45.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.917 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.32 160.34 5.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.708 175.04 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.463 ' H ' HD23 ' A' ' 77' ' ' LEU . 2.6 pt? -58.94 -33.59 70.79 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.936 -0.305 . . . . 0.0 111.387 -174.674 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -77.55 -44.1 29.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.129 0.49 . . . . 0.0 109.993 176.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.492 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -56.5 -36.26 68.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.04 178.494 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.7 m -61.49 -35.62 78.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.343 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -69.66 -40.35 76.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.148 0.499 . . . . 0.0 109.693 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.59 -45.94 74.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.16 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.84 -37.29 79.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.992 0.425 . . . . 0.0 110.45 177.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.4 -31.33 76.96 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.799 175.551 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.07 -47.31 25.09 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 175.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -52.01 -39.55 59.64 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.229 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -102.84 -9.58 19.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.692 0.282 . . . . 0.0 110.715 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 55.69 62.01 2.59 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 122.127 0.965 . . . . 0.0 111.224 -174.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.455 HG21 HD11 ' A' ' 96' ' ' LEU . 12.0 t -125.0 17.82 4.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 114.251 -1.34 . . . . 0.0 108.159 176.025 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.4 ttm-85 -73.72 81.74 1.58 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.129 -175.411 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -141.56 -45.17 0.36 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.077 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.459 ' HB2' ' HD2' ' A' ' 93' ' ' PRO . 46.3 p90 -154.65 163.89 22.79 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.268 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 92' ' ' PHE . 23.5 Cg_endo -61.61 127.76 22.63 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.398 2.066 . . . . 0.0 111.401 175.246 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -153.51 156.19 37.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.961 0.41 . . . . 0.0 111.029 -173.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.8 m -99.75 132.74 44.9 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.282 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.455 HD11 HG21 ' A' ' 89' ' ' VAL . 3.4 mm? -91.53 124.51 35.75 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.09 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.5 t -98.68 103.02 14.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.032 -175.043 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 16.6 m-85 -106.95 127.23 53.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.868 178.194 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.0 p -140.58 133.08 28.57 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.57 -178.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.651 ' O ' ' HG3' ' A' ' 134' ' ' GLN . 22.3 t70 62.0 24.04 14.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.341 0.591 . . . . 0.0 110.481 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.29 -3.12 82.79 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.769 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -113.82 150.04 34.1 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 122.323 -0.516 . . . . 0.0 111.714 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.42 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 58.2 tp -85.78 130.05 34.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.844 178.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -99.02 -29.4 12.92 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.28 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 156.9 -159.22 29.44 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.984 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -107.68 171.13 7.56 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 107' ' ' LEU . 0.8 OUTLIER -111.77 117.24 32.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.072 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.8 m -134.72 150.48 50.59 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.776 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -128.38 131.38 6.91 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.411 -0.9 . . . . 0.0 112.516 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.465 ' N ' HD12 ' A' ' 110' ' ' ILE . 4.0 mp -78.41 -47.81 23.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.337 0.589 . . . . 0.0 109.792 178.095 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.553 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . 38.4 m80 -133.86 157.59 77.44 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.162 177.168 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.06 97.03 0.11 Allowed 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.573 2.182 . . . . 0.0 111.746 176.775 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.406 ' HA ' ' HB2' ' A' ' 116' ' ' LEU . 0.1 OUTLIER 60.52 -167.6 0.18 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.328 -177.131 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 68.66 -56.87 0.51 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.468 0.707 . . . . 0.0 110.943 -174.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.553 ' HG3' ' HB2' ' A' ' 111' ' ' HIS . 3.0 mm-40 -72.49 -29.95 64.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.72 0.771 . . . . 0.0 109.406 177.34 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.711 ' O ' ' HG2' ' A' ' 120' ' ' MET . 4.3 mt -66.59 -37.43 84.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.6 -1.182 . . . . 0.0 112.411 -175.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 96.5 mt -49.82 -50.46 45.1 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -168.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.7 m -85.34 -40.07 16.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.884 0.373 . . . . 0.0 111.166 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.401 ' O ' HG13 ' A' ' 123' ' ' ILE . 0.5 OUTLIER -64.47 -50.56 67.0 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.519 -171.782 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.711 ' HG2' ' O ' ' A' ' 116' ' ' LEU . 27.3 ptt? -73.05 -30.32 63.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.941 0.4 . . . . 0.0 110.622 -175.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -74.12 -36.77 64.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.29 -175.289 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.1 t -63.86 -30.76 71.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.831 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 119' ' ' LEU . 68.3 mt -60.93 -41.47 89.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.046 0.451 . . . . 0.0 110.965 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 28.1 m -104.32 11.5 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.014 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.45 -31.17 60.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.363 0.601 . . . . 0.0 110.22 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.0 p -119.05 89.95 40.27 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.056 175.074 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -73.85 -12.21 23.99 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.83 2.353 . . . . 0.0 112.54 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -90.39 160.46 16.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.451 0.643 . . . . 0.0 111.546 -177.495 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ALA . . . . . 0.504 ' O ' ' HB3' ' A' ' 130' ' ' GLN . . . -159.53 84.26 0.76 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 175.243 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' GLN . . . . . 0.504 ' HB3' ' O ' ' A' ' 129' ' ' ALA . 48.0 tp60 72.24 121.09 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 O-C-N 124.291 0.994 . . . . 0.0 109.667 -165.735 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -60.97 136.6 58.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.796 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 8.6 m 63.22 58.99 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.519 0.676 . . . . 0.0 110.142 -176.025 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 12.8 p -111.43 -28.07 2.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.279 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.651 ' HG3' ' O ' ' A' ' 100' ' ' ASP . 0.6 OUTLIER -98.89 114.72 27.46 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.273 0.559 . . . . 0.0 110.44 -179.134 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 94.1 mt -139.78 165.64 26.74 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.611 174.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -77.55 42.12 0.35 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.08 0.466 . . . . 0.0 110.365 176.582 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 43.2 m170 69.38 -74.02 0.08 Allowed 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.813 -173.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -152.4 155.19 37.08 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 173.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -120.27 79.03 1.41 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.219 0.533 . . . . 0.0 110.546 -174.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -98.76 69.85 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 176.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -174.87 138.46 0.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.221 -176.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.092 179.071 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.99 15.9 8.79 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 169.051 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -83.25 -13.6 54.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.151 0.501 . . . . 0.0 110.283 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -135.88 116.02 13.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.536 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.0 m -120.29 127.01 26.54 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.221 177.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.19 107.15 0.44 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.747 2.298 . . . . 0.0 111.623 176.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -106.71 118.69 37.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.784 -176.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.6 m -147.66 173.82 12.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.282 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.88 -29.25 70.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.797 0.332 . . . . 0.0 111.208 -177.093 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.19 -30.53 69.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.564 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 55.7 t-105 -85.72 -50.52 7.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.61 176.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -51.56 -35.0 39.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.516 -0.765 . . . . 0.0 112.584 -178.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.656 ' HG3' HD22 ' A' ' 14' ' ' LEU . 20.0 ptt180 -59.7 -30.61 68.91 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 111.709 0.262 . . . . 0.0 111.709 -177.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.656 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.0 mm? -72.41 -40.2 67.36 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.227 0.536 . . . . 0.0 110.052 178.085 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.0 mt -66.67 -32.82 74.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.746 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.6 m -67.23 -25.77 66.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.643 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -77.88 0.48 23.9 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.297 0.57 . . . . 0.0 110.442 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.92 31.83 9.6 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.632 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.1 m0 -104.22 134.85 46.76 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -90.0 130.81 41.12 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.222 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 75.1 Cg_endo -81.27 113.85 2.72 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.375 2.05 . . . . 0.0 111.323 172.626 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.9 m -102.53 154.57 5.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.147 0.498 . . . . 0.0 111.636 -176.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.441 ' HB2' ' HB ' ' A' ' 26' ' ' THR . 44.8 mt-10 -104.09 174.11 6.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.459 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.85 -36.32 70.12 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.34 177.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.2 p -101.91 12.74 36.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.238 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.441 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 12.8 m -129.14 -17.83 3.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.842 0.354 . . . . 0.0 111.315 -178.572 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.433 ' O ' HG13 ' A' ' 31' ' ' ILE . 14.0 p -64.17 -32.31 56.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.648 0.261 . . . . 0.0 110.981 -178.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -62.11 -47.09 86.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.545 -177.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.76 -39.6 92.18 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.056 0.455 . . . . 0.0 110.424 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 53.3 t90 -64.05 -50.94 66.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.059 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 27' ' ' VAL . 91.9 mt -57.98 -47.33 86.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.557 -177.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -25.3 63.74 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.517 -176.179 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 33' ' ' ARG . 21.3 ttt180 -81.63 -46.59 14.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.994 0.426 . . . . 0.0 111.218 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.2 m -74.55 -35.51 38.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.063 -177.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.9 -52.61 4.49 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.175 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -125.48 136.33 53.25 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -175.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.22 -177.54 40.58 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.293 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 23.2 m -135.39 138.54 48.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.024 0.44 . . . . 0.0 111.019 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.537 HG13 ' HB3' ' A' ' 73' ' ' ALA . 2.4 mp -108.86 126.83 65.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.448 176.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.491 ' HB2' HG12 ' A' ' 74' ' ' VAL . 87.1 mt -96.15 125.65 40.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.043 177.139 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.9 mt -81.39 156.11 25.58 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -54.54 119.35 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.485 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.2 m -82.69 82.57 7.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.987 -171.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -123.1 88.46 51.03 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 172.617 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -85.68 -70.37 0.01 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.678 2.252 . . . . 0.0 112.034 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 177.98 -32.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -174.57 144.0 0.84 Allowed 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.476 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 8.8 p -64.32 113.38 10.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 120.65 0.262 . . . . 0.0 110.338 175.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 48' ' ' THR . 57.9 Cg_endo -92.67 113.83 0.29 Allowed 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 123.256 2.638 . . . . 0.0 113.861 -172.291 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 59.72 -96.38 0.06 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.496 173.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.2 m -133.99 2.73 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.019 0.438 . . . . 0.0 110.521 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.2 m -88.21 72.54 9.06 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.512 0.672 . . . . 0.0 110.843 -175.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 7.2 p-10 -158.43 -177.04 6.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.994 177.128 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.48 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 61.9 m-80 75.34 143.85 0.1 Allowed Pre-proline 0 N--CA 1.472 0.642 0 O-C-N 123.919 0.762 . . . . 0.0 111.155 -173.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.423 ' HG3' HD11 ' A' ' 14' ' ' LEU . 92.3 Cg_endo -78.78 17.99 1.06 Allowed 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 123.547 2.831 . . . . 0.0 112.956 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.8 m -87.22 171.19 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.547 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.443 ' HB3' ' HZ3' ' A' ' 113' ' ' TRP . 65.6 mtm 73.48 -33.7 0.27 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.543 0.737 . . . . 0.0 112.339 177.035 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.408 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 11.3 tp -59.14 -32.53 48.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.732 -176.391 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.81 -45.54 24.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.911 0.386 . . . . 0.0 111.625 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.37 -30.3 67.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.407 -177.104 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.51 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 2.1 tm? -57.99 -51.72 68.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.312 0.577 . . . . 0.0 109.853 177.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 85.0 mt -57.08 -31.63 65.43 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.999 -1.001 . . . . 0.0 112.023 -178.022 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 -75.46 2.35 11.75 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -172.635 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 61' ' ' LEU . 5.1 pt-20 -88.67 -4.26 58.59 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.787 174.103 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -110.42 82.52 2.79 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 175.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.468 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 97.1 Cg_endo -86.39 11.37 3.32 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.851 2.367 . . . . 0.0 113.414 -170.024 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -70.49 -47.18 61.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.901 0.381 . . . . 0.0 111.795 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -135.59 163.65 29.62 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.535 -176.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -83.28 113.07 20.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.612 -173.054 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -86.97 141.56 28.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.39 176.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -129.42 142.87 50.69 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.139 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.8 t -108.42 132.37 56.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.011 0.434 . . . . 0.0 110.596 -176.845 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.537 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -125.58 148.44 48.93 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.42 177.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.491 HG12 ' HB2' ' A' ' 40' ' ' LEU . 18.2 m -127.56 166.84 23.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.085 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -142.51 153.93 44.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.003 0.43 . . . . 0.0 111.376 -178.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -67.72 170.24 8.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.093 175.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.409 ' H ' HD12 ' A' ' 77' ' ' LEU . 7.5 mp -52.87 -53.06 54.4 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 122.375 0.27 . . . . 0.0 111.253 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 79' ' ' GLN . 6.3 pt-20 -69.94 -36.21 75.13 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.043 0.449 . . . . 0.0 110.762 -177.421 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.481 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 97.6 mt-30 -63.94 -43.83 94.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.11 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.4 m -65.42 -33.24 75.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.639 177.434 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -65.43 -51.84 57.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.342 177.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.86 -47.22 81.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.473 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 87.4 mt -66.08 -49.56 75.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.141 0.496 . . . . 0.0 110.59 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -58.85 -41.06 95.92 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.454 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.54 -37.78 87.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 111.08 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -62.57 -35.45 79.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.581 178.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -95.97 2.89 53.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.729 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 66.23 19.93 11.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.923 177.623 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.6 t -123.56 78.85 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.244 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -136.81 11.69 3.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.662 171.091 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -87.38 -20.82 26.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.342 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -151.21 142.52 15.4 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.546 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.4 134.08 40.2 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.693 2.262 . . . . 0.0 111.76 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -158.84 145.92 17.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.456 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.452 ' HB ' ' HB3' ' A' ' 107' ' ' LEU . 15.2 m -79.71 131.2 35.88 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.414 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.3 mm? -91.34 124.1 35.28 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.3 t -95.97 106.79 18.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.447 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -108.15 134.15 51.41 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.009 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -154.94 138.8 16.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.355 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.9 t70 65.82 14.84 9.78 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.566 0.698 . . . . 0.0 110.24 -178.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.75 2.36 90.64 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.389 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -111.17 157.73 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.389 . . . . 0.0 111.28 -178.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 60.9 tp -89.51 124.9 34.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.778 175.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -93.05 -25.13 18.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.989 0.424 . . . . 0.0 110.715 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 152.7 -166.86 31.44 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.194 178.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.58 145.36 41.37 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.452 ' HB3' ' HB ' ' A' ' 95' ' ' THR . 1.1 tm? -99.89 96.04 7.3 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 -176.432 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.2 t -117.74 122.16 42.74 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 174.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -97.12 131.03 10.45 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.545 -0.836 . . . . 0.0 113.721 -171.213 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.402 ' H ' HG12 ' A' ' 110' ' ' ILE . 12.6 pt -78.41 -15.85 13.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.482 0.658 . . . . 0.0 109.704 171.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 13.1 m80 -150.68 151.21 30.07 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.505 172.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -61.57 -30.38 85.92 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.741 2.294 . . . . 0.0 113.033 -176.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.443 ' HZ3' ' HB3' ' A' ' 57' ' ' MET . 6.1 t-105 -149.47 -167.26 2.78 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 70.85 -74.92 0.08 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.712 0.805 . . . . 0.0 112.192 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -73.78 -22.5 59.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.143 0.497 . . . . 0.0 110.772 -175.567 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.8 tt -59.46 -41.27 89.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.78 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.451 HD22 ' H ' ' A' ' 117' ' ' LEU . 3.1 mm? -55.83 -47.88 76.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.385 -175.6 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.9 m -62.56 -46.76 86.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.935 0.398 . . . . 0.0 111.315 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.561 ' O ' HG13 ' A' ' 123' ' ' ILE . 4.3 mm? -71.4 -49.82 38.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.472 -176.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.456 ' HA ' HD12 ' A' ' 123' ' ' ILE . 17.0 tpt -58.89 -41.01 86.15 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.904 0.383 . . . . 0.0 111.158 -178.145 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 121' ' ' ARG . 17.5 ttt85 -67.38 -30.53 70.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.335 0.588 . . . . 0.0 110.521 -178.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.0 t -75.27 -29.68 60.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.66 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 119' ' ' LEU . 78.3 mt -61.78 -38.18 79.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.255 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.3 m -81.9 35.99 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-O 121.243 0.544 . . . . 0.0 111.267 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.66 -8.81 15.9 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.382 -0.827 . . . . 0.0 111.485 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.47 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 17.8 m -62.06 130.72 92.99 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.678 176.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 126' ' ' THR . 17.1 Cg_exo -68.48 62.2 1.15 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.061 2.507 . . . . 0.0 112.523 178.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -112.75 -9.12 13.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.088 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -112.69 138.68 49.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.431 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -73.96 93.57 2.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.18 0.514 . . . . 0.0 111.433 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.435 ' HG2' ' H ' ' A' ' 132' ' ' THR . 36.4 tt0 -167.97 173.55 8.05 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 175.029 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' THR . . . . . 0.435 ' H ' ' HG2' ' A' ' 131' ' ' GLU . 10.1 t -74.85 74.76 2.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 122.361 1.077 . . . . 0.0 111.053 -178.416 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.448 HG21 ' HA ' ' A' ' 127' ' ' PRO . 19.1 m -86.35 136.59 22.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.696 174.665 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -73.5 138.65 45.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.251 0.548 . . . . 0.0 110.831 -177.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 49.4 tp -79.03 -6.21 55.82 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.43 -174.085 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -74.38 102.27 4.36 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.849 0.833 . . . . 0.0 111.305 -178.389 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -128.08 100.53 5.91 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 173.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -66.07 105.46 1.36 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.345 0.593 . . . . 0.0 111.375 -170.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -98.19 127.39 44.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.265 178.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -139.78 115.92 10.43 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.474 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' HIS . . . . . 0.423 ' O ' ' HB2' ' A' ' 142' ' ' HIS . 56.5 t-80 -70.24 86.0 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.342 0.401 . . . . 0.0 111.473 -174.691 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' HIS . . . . . 0.423 ' HB2' ' O ' ' A' ' 141' ' ' HIS . 12.5 t60 . . . . . 0 C--O 1.248 1.02 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.177 174.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 91' ' ' ARG . 45.7 mtt . . . . . 0 N--CA 1.477 0.875 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.0 -173.37 0.18 Allowed 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -164.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -163.55 116.92 1.53 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.559 0.695 . . . . 0.0 111.746 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -76.48 -44.19 36.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.367 169.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.8 m 62.94 84.72 0.18 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.291 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -70.33 -42.37 2.86 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.325 2.017 . . . . 0.0 111.822 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.8 t80 61.34 -159.95 0.31 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.295 178.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.4 m 60.98 -157.71 0.34 Allowed 'General case' 0 C--O 1.237 0.429 0 CA-C-O 120.906 0.384 . . . . 0.0 111.691 176.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.602 ' HA ' ' HB3' ' A' ' 12' ' ' GLN . . . -58.48 -26.72 63.72 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.595 179.081 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.529 ' H ' HD12 ' A' ' 10' ' ' LEU . 6.3 mp -57.72 -38.54 75.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.781 0.324 . . . . 0.0 110.504 178.424 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 46.4 t-105 -83.33 -47.08 11.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.019 0.437 . . . . 0.0 110.165 175.683 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.602 ' HB3' ' HA ' ' A' ' 9' ' ' ALA . 30.2 tt0 -48.94 -34.36 12.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.827 177.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -53.0 -38.8 62.59 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 122.671 0.388 . . . . 0.0 111.627 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.624 HD23 HG11 ' A' ' 74' ' ' VAL . 7.7 mp -66.35 -36.16 82.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.99 0.424 . . . . 0.0 110.156 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.2 mt -75.45 -30.26 59.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.593 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.6 m -67.13 -33.88 76.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.011 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -81.46 172.39 13.57 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.3 45.01 2.51 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.953 -0.642 . . . . 0.0 113.434 -175.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.497 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 51.7 m0 -105.51 138.35 41.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.964 0.412 . . . . 0.0 111.254 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.438 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 2.3 mp0 -97.72 135.44 21.59 Favored Pre-proline 0 N--CA 1.449 -0.518 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.256 177.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 1.7 Cg_endo -81.45 118.22 3.19 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.61 2.206 . . . . 0.0 111.098 175.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.4 m -108.95 155.64 9.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.271 0.558 . . . . 0.0 111.88 -176.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.473 ' HB2' HG22 ' A' ' 26' ' ' THR . 43.8 mt-10 -117.96 168.35 10.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.567 177.199 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.16 -24.76 67.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.954 0.406 . . . . 0.0 111.301 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 p -91.11 -13.02 33.84 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -176.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.473 HG22 ' HB2' ' A' ' 23' ' ' GLU . 14.2 t -126.06 -6.73 6.62 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.565 -0.454 . . . . 0.0 112.124 -177.553 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -61.91 -39.2 82.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.601 0.239 . . . . 0.0 111.211 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -68.61 -28.7 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.846 -177.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -76.93 -43.06 36.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.563 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.444 ' O ' HG22 ' A' ' 34' ' ' VAL . 92.2 t90 -56.67 -46.83 80.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.089 178.017 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.463 HD13 ' CE1' ' A' ' 98' ' ' PHE . 63.8 mt -61.47 -41.51 90.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.716 178.643 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -57.72 -39.95 78.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.501 0.667 . . . . 0.0 111.039 175.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -78.98 -35.87 42.32 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.356 -171.251 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.562 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 26.8 m -86.41 -45.48 16.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.525 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.99 -61.82 0.59 Allowed Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.006 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -127.52 137.01 52.52 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -175.202 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 168.84 -171.59 42.91 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.054 -1.07 . . . . 0.0 112.893 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.491 HG23 HG13 ' A' ' 72' ' ' VAL . 15.3 m -136.55 138.68 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.979 0.418 . . . . 0.0 111.005 -178.314 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.52 HG13 ' HB3' ' A' ' 73' ' ' ALA . 2.0 mp -109.92 128.2 66.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.88 178.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.485 ' HB2' HG12 ' A' ' 74' ' ' VAL . 97.6 mt -96.93 132.89 42.26 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.249 178.328 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.0 mt -94.72 156.73 16.27 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.1 t -72.94 -55.64 6.3 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 175.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.478 ' O ' ' HB3' ' A' ' 44' ' ' ASP . 22.7 t 70.58 -50.03 0.66 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.355 -0.838 . . . . 0.0 112.533 173.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.562 ' OD2' ' HB2' ' A' ' 46' ' ' ARG . 31.6 t70 82.88 123.4 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.473 0 C-N-CA 124.571 1.148 . . . . 0.0 110.613 -174.268 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.528 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 5.3 Cg_exo -79.95 46.02 2.12 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.597 2.864 . . . . 0.0 112.275 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.562 ' HB2' ' OD2' ' A' ' 44' ' ' ASP . 79.2 ttt180 -62.13 -60.85 3.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.089 177.619 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 47' ' ' ARG . 21.6 ttt85 -110.53 141.2 44.01 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 173.833 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.5 m 65.13 78.88 0.25 Allowed Pre-proline 0 C--N 1.328 -0.354 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -167.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -89.76 -177.33 1.39 Allowed 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.226 2.617 . . . . 0.0 113.307 -172.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 71.41 -84.85 0.03 OUTLIER 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.521 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' A' ' 52' ' ' SER . 8.3 p 41.34 47.84 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 CA-C-O 121.847 0.832 . . . . 0.0 111.403 -175.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 51' ' ' VAL . 33.7 t 77.4 -31.12 0.17 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 114.724 -1.125 . . . . 0.0 111.751 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 30.4 t70 66.19 120.52 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.257 0.623 . . . . 0.0 110.55 -176.156 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.481 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 4.3 m-20 71.71 114.53 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.378 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.894 -171.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 54' ' ' ASN . 11.7 Cg_endo -54.84 98.8 0.06 OUTLIER 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 123.312 2.675 . . . . 0.0 113.306 -177.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.474 ' C ' ' H ' ' A' ' 58' ' ' ILE . 29.2 m -127.78 169.21 19.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.208 174.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 67.7 mtm 71.57 -21.84 0.21 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.052 0.541 . . . . 0.0 111.615 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.474 ' H ' ' C ' ' A' ' 56' ' ' VAL . 9.7 tp -62.35 -24.41 34.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.192 0.52 . . . . 0.0 110.534 177.326 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.73 -26.21 54.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.763 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.72 -29.07 68.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.818 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -52.4 -43.12 64.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.767 179.751 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.7 -17.24 13.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.415 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.445 ' HD3' HH11 ' A' ' 63' ' ' ARG . 30.9 mmt180 -77.68 -21.29 52.3 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.29 -0.256 . . . . 0.0 110.879 178.72 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.791 ' HB3' HD11 ' A' ' 117' ' ' LEU . 8.7 mm-40 -86.96 -29.23 22.19 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 120.935 0.398 . . . . 0.0 110.798 -172.726 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -121.27 77.66 34.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.643 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -81.82 9.63 3.85 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.345 2.697 . . . . 0.0 112.201 -177.847 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -65.23 -44.79 87.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.217 176.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.449 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 4.5 m-85 -108.02 156.52 19.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.116 177.834 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -97.64 93.53 6.46 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 169.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.449 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 18.5 m95 -78.36 143.6 36.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.832 -170.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.562 ' OE1' ' HB ' ' A' ' 34' ' ' VAL . 28.0 mp0 -111.39 139.84 46.47 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 168.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.497 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 21.2 t -109.04 135.11 48.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.47 -177.428 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.52 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -129.18 154.57 46.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.605 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.624 HG11 HD23 ' A' ' 14' ' ' LEU . 11.7 m -125.69 147.58 30.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.468 178.534 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.36 141.25 28.65 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.724 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.529 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 3.2 t70 -57.01 152.34 13.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.288 174.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.4 mt -51.68 -43.23 62.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.778 0.323 . . . . 0.0 111.522 -176.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -78.72 -50.45 11.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.12 0.486 . . . . 0.0 110.443 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.529 ' HB2' ' HB3' ' A' ' 76' ' ' ASP . 19.2 mm-40 -62.89 -25.81 68.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.435 -175.651 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.2 t -59.04 -35.81 73.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.59 0.233 . . . . 0.0 111.406 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.02 -43.11 79.54 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.33 -39.36 81.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.212 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.9 mt -66.39 -39.32 83.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 120.757 0.313 . . . . 0.0 110.85 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.96 -43.59 97.99 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.564 176.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.13 -40.88 95.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.281 0.562 . . . . 0.0 110.75 175.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -55.54 -41.6 73.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.969 -176.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -102.28 -1.38 31.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.125 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 56.12 49.98 14.47 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.27 0.557 . . . . 0.0 110.514 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.9 p -69.99 150.56 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.59 -177.66 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -70.64 140.76 51.66 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.465 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 56.6 mtt180 -58.54 164.98 2.35 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -176.239 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.462 ' HB2' ' O ' ' A' ' 91' ' ' ARG . 88.9 m-85 77.96 151.91 0.13 Allowed Pre-proline 0 N--CA 1.47 0.546 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.437 -174.487 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -45.67 121.92 4.49 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.582 2.854 . . . . 0.0 112.356 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -140.68 143.98 35.39 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 121.427 0.632 . . . . 0.0 111.419 -171.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.3 m -101.08 131.3 47.06 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.987 173.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.8 mm? -91.19 124.3 35.29 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.486 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.407 ' CG2' HD23 ' A' ' 107' ' ' LEU . 44.8 t -97.22 114.16 33.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.852 -177.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.469 ' CD2' HD13 ' A' ' 39' ' ' ILE . 50.8 m-85 -112.05 140.8 46.43 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.261 0.553 . . . . 0.0 110.846 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.605 ' HB ' HH11 ' A' ' 104' ' ' ARG . 1.3 m -153.1 148.55 27.12 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -177.25 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.41 16.02 3.86 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 123.558 0.743 . . . . 0.0 112.337 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.86 -8.97 79.05 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.579 -175.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -120.25 178.06 4.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.209 0.504 . . . . 0.0 111.675 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.409 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 37.6 tp -83.41 129.09 34.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.985 0.422 . . . . 0.0 110.965 -176.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.605 HH11 ' HB ' ' A' ' 99' ' ' THR . 0.2 OUTLIER -91.76 -48.96 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.674 178.245 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 175.71 -164.03 34.04 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.812 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.67 147.68 52.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.733 0.301 . . . . 0.0 110.668 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.424 HD21 ' HG3' ' A' ' 120' ' ' MET . 1.8 mm? -112.14 106.17 14.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.435 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.6 m -128.27 162.36 27.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.167 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 95.27 147.48 22.7 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.681 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 67.3 mt -85.06 110.37 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.133 0.492 . . . . 0.0 110.402 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -137.91 136.28 19.66 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.05 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.69 175.78 8.39 Favored 'Trans proline' 0 C--O 1.238 0.493 0 C-N-CA 122.823 2.349 . . . . 0.0 112.425 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 -72.75 174.34 7.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 71.67 -58.42 0.58 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.101 0.561 . . . . 0.0 110.924 -175.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.81 -32.36 74.02 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-O 121.101 0.477 . . . . 0.0 110.143 176.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.1 tt -58.12 -40.82 82.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.697 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.791 HD11 ' HB3' ' A' ' 64' ' ' GLU . 4.6 mm? -62.1 -28.94 69.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.485 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.0 m -82.73 -45.77 14.0 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.946 0.403 . . . . 0.0 110.54 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -70.21 -49.9 45.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.277 -174.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.424 ' HG3' HD21 ' A' ' 107' ' ' LEU . 28.1 ttt -72.52 -24.6 61.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 -173.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 9.6 ttt180 -68.81 -28.02 66.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.549 -178.13 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 36.2 m -61.14 -29.85 70.02 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.132 176.127 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.44 HG22 ' CG ' ' A' ' 104' ' ' ARG . 47.4 mt -80.06 -49.28 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.24 0.543 . . . . 0.0 110.559 177.705 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.2 m -91.83 35.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.17 -177.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -73.6 -54.89 7.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.094 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 35.0 p 48.95 83.96 0.21 Allowed Pre-proline 0 N--CA 1.468 0.448 0 CA-C-N 115.184 -0.916 . . . . 0.0 113.109 178.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -69.3 -23.49 32.85 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.7 2.267 . . . . 0.0 111.878 176.432 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.88 39.14 1.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.125 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -122.63 151.19 41.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.106 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -85.52 -38.64 18.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.988 -178.151 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 61.89 -139.72 0.47 Allowed 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 4.5 m 65.48 43.51 3.38 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.681 0.753 . . . . 0.0 110.404 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 26.8 m -99.31 174.8 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.475 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.7 111.64 23.96 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.319 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.4 mp -67.29 114.77 6.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.567 -178.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.432 ' HA ' ' OE1' ' A' ' 136' ' ' GLU . 5.2 mm-40 -56.32 135.89 53.56 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.35 0.595 . . . . 0.0 111.413 -179.301 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -85.85 174.62 9.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.29 -176.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -80.1 137.54 36.77 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -63.03 107.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.027 0.442 . . . . 0.0 111.011 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -92.81 100.12 12.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.51 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -133.66 146.93 51.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.89 -173.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 22.6 p80 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 117.422 -1.275 . . . . 0.0 109.403 173.069 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.0 mtp . . . . . 0 N--CA 1.476 0.847 0 CA-C-O 121.22 0.534 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.88 120.45 39.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.163 -177.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -116.51 136.34 53.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.246 -176.482 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -90.09 136.74 32.87 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 174.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.0 p 56.89 123.74 0.01 OUTLIER Pre-proline 0 N--CA 1.471 0.615 0 C-N-CA 124.251 1.021 . . . . 0.0 111.774 -170.268 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -47.18 -49.67 12.43 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.738 2.292 . . . . 0.0 112.334 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.831 ' HB3' HD23 ' A' ' 10' ' ' LEU . 3.7 t80 66.66 121.49 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.282 0 O-C-N 123.97 0.794 . . . . 0.0 111.545 175.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.9 m -58.67 -30.21 67.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.824 -174.387 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.93 -30.23 70.76 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.831 HD23 ' HB3' ' A' ' 7' ' ' PHE . 4.4 mm? -69.99 -27.18 64.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.997 0.427 . . . . 0.0 110.577 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 24.3 t-105 -85.57 -47.23 10.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.33 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -47.23 -40.41 16.32 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.672 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.742 ' HG3' HD22 ' A' ' 14' ' ' LEU . 22.7 ptt180 -55.3 -31.11 61.38 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -175.563 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.742 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.2 mm? -72.96 -41.76 64.07 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.179 0.514 . . . . 0.0 109.678 178.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.433 HD22 ' HG3' ' A' ' 21' ' ' PRO . 86.6 mt -67.75 -26.05 65.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.535 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -60.2 -38.4 83.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.868 177.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -75.52 -33.59 60.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.086 0.469 . . . . 0.0 109.973 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 141.59 -130.08 4.25 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.39 176.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.6 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 38.8 m0 67.28 154.56 0.1 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.682 0.753 . . . . 0.0 112.1 -178.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.44 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 2.1 mp0 -90.59 120.89 68.85 Favored Pre-proline 0 N--CA 1.442 -0.859 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.385 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 4.5 Cg_exo -78.56 105.77 2.02 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.54 2.16 . . . . 0.0 111.012 175.251 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.5 m -101.73 -173.63 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.953 -177.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -132.35 179.92 5.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.081 -178.428 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ALA . . . . . 0.522 ' HA ' HG12 ' A' ' 83' ' ' ILE . . . -63.5 -48.64 76.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.006 0.431 . . . . 0.0 111.389 -177.676 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.4 m -88.17 -32.05 18.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.819 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 m -70.09 -26.39 63.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.844 -176.139 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 31' ' ' ILE . 11.7 p -63.61 -34.0 65.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.616 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.51 -42.29 96.11 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.316 0.579 . . . . 0.0 110.224 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.533 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 12.4 t70 -69.85 -40.48 75.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.401 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -60.81 -47.06 88.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.536 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 27' ' ' VAL . 95.8 mt -56.44 -50.63 71.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.606 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.533 ' HE3' ' HA ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -67.6 -20.17 65.33 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.946 -175.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.8 ttt85 -81.71 -48.25 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.554 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.6 m -76.29 -36.42 29.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.552 -174.611 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.18 -50.12 3.36 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 121.324 -0.465 . . . . 0.0 112.16 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -122.07 125.89 47.23 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -177.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.34 174.52 41.2 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.164 -1.017 . . . . 0.0 112.885 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 11.6 m -133.4 133.98 57.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.141 0.496 . . . . 0.0 110.782 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.438 ' HB ' ' HB2' ' A' ' 96' ' ' LEU . 3.8 mp -103.81 125.59 58.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.013 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.508 ' HB2' HG12 ' A' ' 74' ' ' VAL . 51.8 mt -99.47 114.42 27.36 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 175.189 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.1 mt -70.42 147.72 49.18 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.51 ' HB2' ' O ' ' A' ' 75' ' ' ALA . 33.4 t -69.58 -26.94 64.71 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.73 -177.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t 61.87 -165.29 0.23 Allowed 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.55 0.531 . . . . 0.0 110.08 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.429 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 5.4 p-10 -132.65 95.54 19.87 Favored Pre-proline 0 C--N 1.317 -0.816 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 172.74 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 7.8 Cg_exo -73.71 49.37 1.82 Allowed 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 123.692 2.928 . . . . 0.0 113.895 -170.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -167.57 92.1 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.747 0.784 . . . . 0.0 111.488 172.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -128.48 -101.2 0.34 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.077 173.083 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.835 ' HB ' ' HD3' ' A' ' 49' ' ' PRO . 1.2 m -146.94 -56.64 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.835 ' HD3' ' HB ' ' A' ' 48' ' ' THR . 3.7 Cg_endo -86.95 123.96 2.09 Favored 'Trans proline' 0 C--N 1.356 0.973 0 C-N-CA 122.679 2.253 . . . . 0.0 110.674 169.715 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -91.5 97.49 11.09 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.023 0.44 . . . . 0.0 110.367 -176.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.2 m -112.35 144.33 20.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.282 -176.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.7 m 62.07 12.08 4.74 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.122 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.48 ' C ' ' HD3' ' A' ' 55' ' ' PRO . 6.3 t70 -86.46 53.37 2.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.371 0.605 . . . . 0.0 109.859 -178.386 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.516 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 91.4 m-20 -130.38 54.15 13.79 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.312 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.516 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 7.9 Cg_exo -72.06 -31.92 11.61 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.191 1.927 . . . . 0.0 111.606 -178.202 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.8 p -69.53 -20.92 24.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.777 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 78.0 mtp -95.17 7.14 47.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.391 -175.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.45 HG21 HD11 ' A' ' 40' ' ' LEU . 9.4 tp -76.67 -18.51 14.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.646 -177.739 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.51 -52.52 38.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.472 -176.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.45 ' HG3' ' HH2' ' A' ' 113' ' ' TRP . 17.2 pt-20 -68.6 -29.17 67.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.96 0.41 . . . . 0.0 110.537 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.781 HD21 HD22 ' A' ' 116' ' ' LEU . 2.4 tm? -70.33 -55.69 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.542 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.4 tp -55.91 -36.88 68.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.284 -174.847 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -74.5 14.35 0.48 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -176.661 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.72 -18.19 30.02 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 173.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -121.74 62.85 14.23 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.139 -176.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -84.23 43.3 1.33 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.213 1.942 . . . . 0.0 112.251 -175.098 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -82.59 -38.45 23.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.234 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.22 177.64 5.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.561 -175.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -90.38 89.98 7.84 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 173.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.403 ' CE3' HG13 ' A' ' 38' ' ' VAL . 78.5 m95 -75.64 141.2 42.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.434 0.635 . . . . 0.0 110.616 -179.478 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -126.75 136.34 52.29 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.665 178.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.6 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 17.0 t -105.25 129.41 58.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.058 0.456 . . . . 0.0 110.582 -176.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.02 151.61 46.87 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.832 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.508 HG12 ' HB2' ' A' ' 40' ' ' LEU . 14.4 m -129.44 161.74 38.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.06 178.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 42' ' ' SER . . . -132.29 165.08 25.0 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 121.186 -0.206 . . . . 0.0 110.906 -177.586 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.502 ' HB3' ' HG2' ' A' ' 79' ' ' GLN . 18.4 t70 -63.87 157.29 25.07 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.512 0.508 . . . . 0.0 110.84 -178.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.459 ' H ' HD12 ' A' ' 77' ' ' LEU . 7.3 mp -51.13 -57.03 9.77 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -171.282 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -77.05 -40.93 44.45 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -172.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.537 ' O ' HG13 ' A' ' 83' ' ' ILE . 3.7 pt20 -65.64 -29.46 70.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.628 0.251 . . . . 0.0 111.013 -176.007 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.1 m -52.82 -33.11 47.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.757 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -69.48 -41.29 76.33 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.32 -29.24 62.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.16 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 79' ' ' GLN . 69.2 mt -63.98 -36.12 75.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.039 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.19 -33.68 86.71 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.592 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -74.77 -34.33 62.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.873 0.368 . . . . 0.0 110.182 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -56.2 -43.49 78.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.92 175.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.457 ' HB2' HG23 ' A' ' 89' ' ' VAL . 25.8 m-85 -83.49 -1.1 52.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.782 179.112 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASN . . . . . 0.429 HD22 ' N ' ' A' ' 88' ' ' ASN . 0.9 OUTLIER 64.05 38.63 8.38 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.697 178.328 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.559 HG12 ' H ' ' A' ' 90' ' ' ARG . 10.4 t -88.36 173.03 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.113 178.624 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.582 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 53.4 mmm-85 -70.76 7.03 1.23 Allowed 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 62.92 89.04 0.09 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 122.892 0.477 . . . . 0.0 111.438 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.706 ' HE2' ' HB2' ' A' ' 108' ' ' SER . 52.2 p90 -170.71 155.44 4.77 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -59.74 118.13 4.97 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.507 2.138 . . . . 0.0 112.015 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -160.63 158.97 29.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.093 -174.513 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.4 m -89.82 131.12 35.93 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.517 175.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.494 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.4 mm? -91.35 125.39 36.09 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.013 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.7 t -99.94 112.39 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.973 -175.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.466 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 34.4 m-85 -121.34 131.49 54.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.196 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 60.6 p -141.34 130.98 24.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.881 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 t70 63.4 19.36 11.64 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.359 0.599 . . . . 0.0 111.065 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.9 6.0 89.32 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.005 -177.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -107.24 142.3 37.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.825 0.345 . . . . 0.0 110.623 -177.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.466 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 48.7 tp -80.02 122.48 26.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.406 178.514 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -99.9 -34.22 10.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.885 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 146.08 -166.94 27.92 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.449 176.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -110.81 158.8 18.28 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -126.22 111.89 15.12 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -176.805 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.706 ' HB2' ' HE2' ' A' ' 92' ' ' PHE . 13.2 t -124.71 127.16 46.83 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 175.874 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -80.94 109.52 2.98 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.479 -0.867 . . . . 0.0 113.064 -175.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 50.4 mm -64.75 -38.81 83.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 169.4 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -123.14 141.58 36.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.021 167.049 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -51.11 -31.31 35.17 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.129 2.553 . . . . 0.0 113.791 -178.204 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.45 ' HH2' ' HG3' ' A' ' 60' ' ' GLU . 5.3 t-105 -145.16 -165.58 2.21 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.18 -178.184 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 71.92 -90.02 0.02 OUTLIER 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.172 0.989 . . . . 0.0 112.092 174.653 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -65.09 -22.35 66.94 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.633 0.254 . . . . 0.0 111.468 -176.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.781 HD22 HD21 ' A' ' 61' ' ' LEU . 9.5 tt -53.88 -45.3 71.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.134 175.731 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.42 HD22 ' N ' ' A' ' 117' ' ' LEU . 3.3 mm? -65.72 -42.91 90.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.319 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.7 m -59.73 -48.15 82.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.023 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 119' ' ' LEU . 4.3 mm? -71.68 -48.89 44.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.293 -179.061 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -59.15 -39.44 82.43 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.004 -177.382 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -61.29 -36.84 81.15 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.5 t -68.94 -30.86 69.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.136 0.493 . . . . 0.0 109.955 176.843 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 48.8 mm -65.87 -38.79 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.333 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 28.2 m -99.18 20.15 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.374 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -84.4 -13.11 53.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.343 0.592 . . . . 0.0 110.342 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.67 143.35 89.69 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.512 -178.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -61.9 112.53 1.53 Allowed 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.812 2.341 . . . . 0.0 112.098 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -115.31 126.56 54.61 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.722 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -170.07 -49.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.223 -177.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -173.2 93.6 0.1 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.617 173.609 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -96.14 85.76 4.09 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 174.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 26.5 m -73.42 -30.07 62.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.471 -173.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 17.7 m -75.88 120.86 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.259 0.552 . . . . 0.0 110.591 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.404 ' H ' ' HG2' ' A' ' 134' ' ' GLN . 7.7 pt20 -82.88 88.18 6.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.626 0.727 . . . . 0.0 110.751 -178.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 96.4 mt -96.92 103.85 15.82 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.721 -177.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.533 ' OE2' ' HA ' ' A' ' 138' ' ' HIS . 3.7 pt-20 -86.82 177.5 7.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.008 175.218 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' HIS . . . . . 0.421 ' O ' ' HB2' ' A' ' 138' ' ' HIS . 33.9 t60 -99.72 19.01 16.72 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.533 ' HA ' ' OE2' ' A' ' 136' ' ' GLU . 16.2 m-70 74.54 -28.58 0.19 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.603 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -70.82 107.25 3.91 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 168.435 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -82.81 163.63 21.09 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.422 -173.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -73.73 112.16 9.56 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 175.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 3.2 p80 . . . . . 0 C--O 1.251 1.172 0 CA-C-O 118.122 -0.942 . . . . 0.0 108.875 175.029 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtm . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.77 89.2 7.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.133 0.492 . . . . 0.0 110.553 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -87.54 8.64 24.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.238 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -146.32 132.59 19.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.661 -177.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.443 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 8.2 t -97.63 128.37 34.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 121.102 0.477 . . . . 0.0 110.374 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 5.4 Cg_exo -76.28 82.54 2.2 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 122.672 2.248 . . . . 0.0 111.97 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.1 t80 70.7 168.89 0.31 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.51 178.021 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.2 t -86.16 39.66 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.203 0.525 . . . . 0.0 109.658 177.633 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -55.7 -40.52 72.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.762 -176.011 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.452 ' O ' HD23 ' A' ' 14' ' ' LEU . 84.1 mt -55.4 -44.94 76.62 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.038 0.447 . . . . 0.0 111.244 -178.424 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.404 ' NE1' HD11 ' A' ' 15' ' ' LEU . 57.8 t-105 -82.9 -50.52 8.51 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.95 -177.577 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -50.82 -43.89 59.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.668 -178.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.427 ' HG3' HD22 ' A' ' 14' ' ' LEU . 35.8 ptt180 -66.04 -28.49 68.89 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.8 -174.555 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 10' ' ' LEU . 4.2 mm? -71.2 -38.49 72.05 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 176.188 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.404 HD11 ' NE1' ' A' ' 11' ' ' TRP . 84.4 mt -64.21 -35.53 81.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.839 174.349 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.9 m -68.37 -27.14 65.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.213 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -70.06 -26.44 64.01 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.794 0.331 . . . . 0.0 110.362 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.32 20.78 5.77 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.405 -0.903 . . . . 0.0 112.642 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 37.2 m0 -83.04 136.33 34.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.836 0.35 . . . . 0.0 110.346 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 -89.9 120.1 69.37 Favored Pre-proline 0 N--CA 1.448 -0.562 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.608 -177.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 57.0 Cg_endo -74.56 105.4 2.05 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 122.15 1.9 . . . . 0.0 110.373 170.588 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.497 HG13 ' HB1' ' A' ' 73' ' ' ALA . 9.1 m -84.78 160.81 3.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.455 0.645 . . . . 0.0 111.471 -175.475 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.647 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 36.7 mt-10 -115.17 -175.59 2.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.64 -178.144 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.18 -50.26 6.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.906 0.384 . . . . 0.0 111.307 -175.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.4 t -76.83 -36.37 56.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.883 -173.415 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.4 t -105.9 19.48 20.46 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.152 -0.343 . . . . 0.0 111.859 -174.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.647 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 12.7 p -65.09 -39.26 85.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 120.674 0.273 . . . . 0.0 111.241 -179.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.503 ' HA ' HD12 ' A' ' 31' ' ' ILE . 4.7 p-10 -75.14 -23.52 57.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.533 0.206 . . . . 0.0 110.76 -176.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -66.59 -43.6 84.44 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -60.28 -45.19 94.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.04 176.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' A' ' 28' ' ' ASP . 76.2 mt -59.23 -43.43 89.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.822 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.478 ' HD2' ' O ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -66.04 -32.08 73.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.181 0.515 . . . . 0.0 110.234 178.749 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.35 -45.61 38.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.906 -175.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.6 m -86.13 -31.59 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.965 0.412 . . . . 0.0 111.684 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.55 -54.65 4.84 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 121.127 -0.559 . . . . 0.0 111.926 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -126.26 129.11 48.27 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.673 0.273 . . . . 0.0 110.267 -176.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.95 176.0 42.89 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.336 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.2 m -132.06 144.14 38.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.739 0.304 . . . . 0.0 111.189 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.3 mp -110.64 126.48 67.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.83 176.379 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.545 ' HB2' HG12 ' A' ' 74' ' ' VAL . 80.4 mt -96.88 129.7 44.28 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.691 177.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 93' ' ' PRO . 92.5 mt -96.74 160.87 14.14 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 174.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.1 t -61.23 101.32 0.16 Allowed 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.886 ' HA ' ' HG2' ' A' ' 93' ' ' PRO . 19.3 m -77.1 -27.93 54.27 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -170.063 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.46 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 11.9 p-10 -89.46 118.34 68.98 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 121.02 0.438 . . . . 0.0 110.419 -178.56 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 7.2 Cg_exo -73.59 -65.09 0.03 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.936 2.424 . . . . 0.0 111.715 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -109.55 -44.92 3.78 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 176.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -148.63 161.07 42.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.935 -1.03 . . . . 0.0 108.575 174.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 16.9 p -52.97 109.29 1.39 Allowed Pre-proline 0 CA--C 1.535 0.392 0 O-C-N 123.586 0.554 . . . . 0.0 111.299 176.391 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 48' ' ' THR . 61.5 Cg_endo -88.46 103.64 0.45 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.98 2.453 . . . . 0.0 114.022 -172.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 60.91 -96.81 0.06 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.863 175.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.9 m -147.36 21.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.37 -178.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.2 t -98.38 23.93 7.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.348 0.594 . . . . 0.0 110.133 -175.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 7.2 p-10 -141.63 -150.56 0.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.27 -175.309 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 54.5 m-80 78.7 108.49 0.03 OUTLIER Pre-proline 0 N--CA 1.472 0.651 0 C-N-CA 124.093 0.957 . . . . 0.0 111.598 -177.536 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 54' ' ' ASN . 6.1 Cg_exo -80.75 -9.29 13.31 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 123.293 2.662 . . . . 0.0 111.871 176.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 57' ' ' MET . 34.4 m -79.25 156.67 4.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.323 177.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.45 ' HA ' ' OE1' ' A' ' 60' ' ' GLU . 87.8 mtp 71.4 6.5 5.78 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.281 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.494 HD12 HD13 ' A' ' 61' ' ' LEU . 9.3 tp -76.84 -16.13 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.057 0.456 . . . . 0.0 109.845 176.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.53 -53.51 11.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.87 -178.447 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.593 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 1.5 pm0 -64.93 -30.45 71.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.096 0.475 . . . . 0.0 110.302 176.108 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.638 HD21 HD21 ' A' ' 116' ' ' LEU . 7.1 tt -64.28 -55.09 23.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.705 175.24 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.3 tp -60.05 -39.32 85.53 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.921 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.593 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 5.3 ptp180 -75.14 15.13 0.45 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.886 0.374 . . . . 0.0 111.656 -176.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.481 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 38.1 mm-40 -74.64 -12.27 60.4 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 172.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -114.64 80.64 6.45 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.485 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 5.9 Cg_exo -74.41 -6.96 19.08 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.817 2.344 . . . . 0.0 111.603 178.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -54.8 -48.53 72.64 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.64 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.472 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 5.6 m-85 -108.71 -174.35 2.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.881 178.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -127.72 106.25 9.01 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 173.05 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.472 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 11.2 m95 -96.27 151.31 19.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.175 -170.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 51.1 mt-30 -111.23 157.89 19.59 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 170.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.4 t -109.87 119.23 58.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.856 0.36 . . . . 0.0 110.418 -178.795 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.497 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -115.95 148.27 40.25 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.199 178.11 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.545 HG12 ' HB2' ' A' ' 40' ' ' LEU . 16.9 m -131.58 149.52 33.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 120.939 0.399 . . . . 0.0 111.212 -178.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.59 149.12 27.63 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 171.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.512 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 13.6 p-10 -81.26 30.6 0.34 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.746 0.307 . . . . 0.0 110.644 -177.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' ' 76' ' ' ASP . 10.4 mp 73.82 -47.59 0.65 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.596 0.759 . . . . 0.0 110.59 -174.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -67.6 -51.26 52.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.509 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 0.7 OUTLIER -56.26 -23.38 35.81 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -177.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.438 ' HA ' HD22 ' A' ' 41' ' ' LEU . 8.4 m -49.66 -43.9 47.35 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -172.662 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.23 -45.74 83.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.131 0.491 . . . . 0.0 110.469 -178.615 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.61 -44.9 73.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.98 -39.2 82.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.5 -51.73 56.07 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.619 -0.801 . . . . 0.0 111.939 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -67.17 -33.65 75.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.888 0.375 . . . . 0.0 110.78 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -57.87 -34.65 69.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.067 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -106.68 13.98 27.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.815 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 64.23 31.98 12.71 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.156 175.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.789 HG12 ' H ' ' A' ' 90' ' ' ARG . 2.4 t -91.65 -158.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 175.661 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.789 ' H ' HG12 ' A' ' 89' ' ' VAL . 43.8 ttt180 -162.53 -175.03 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -173.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.688 ' H ' ' HG2' ' A' ' 90' ' ' ARG . 7.5 tpp180 -56.52 157.13 5.4 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 175.714 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.435 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 97.5 m-85 70.54 96.63 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.391 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 -170.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.886 ' HG2' ' HA ' ' A' ' 43' ' ' SER . 8.2 Cg_exo -72.85 -175.69 2.01 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 123.862 3.041 . . . . 0.0 114.42 -167.361 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -171.75 162.63 6.28 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 114.56 -1.2 . . . . 0.0 109.472 -174.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.6 m -83.39 128.35 34.44 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 171.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.95 123.74 34.67 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.692 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.1 t -98.53 108.16 21.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.143 -176.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -111.35 130.82 55.56 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.925 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.07 141.14 27.3 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.125 -178.2 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.7 t70 63.1 21.54 12.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.54 0.686 . . . . 0.0 110.778 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.54 9.54 82.11 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.207 -176.289 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -123.64 157.1 34.56 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.807 0.336 . . . . 0.0 110.876 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 63.9 tp -76.2 129.24 36.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.274 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.479 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -99.38 -42.09 7.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.481 176.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 169.29 -173.55 43.68 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.404 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -125.8 147.32 49.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.87 105.07 8.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.832 0.349 . . . . 0.0 110.164 -176.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.7 t -97.08 166.34 11.64 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.63 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -71.42 76.48 0.63 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.3 -0.476 . . . . 0.0 113.425 -175.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.5 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 13.4 pt -86.7 83.09 2.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.09 0.472 . . . . 0.0 110.175 174.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.5 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 58.3 m80 72.14 148.94 0.12 Allowed Pre-proline 0 N--CA 1.465 0.297 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.528 -172.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -62.11 107.55 0.57 Allowed 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.149 1.899 . . . . 0.0 111.901 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 20.7 t-105 65.33 -121.3 0.39 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 50.67 -89.08 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 172.453 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -77.45 -19.55 55.84 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.843 -171.612 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.638 HD21 HD21 ' A' ' 61' ' ' LEU . 8.5 tt -54.59 -42.88 71.6 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.15 178.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -57.75 -46.16 84.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.961 177.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.7 m -63.25 -51.37 66.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.225 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.0 -50.06 65.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.961 -174.353 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.474 ' HG2' ' O ' ' A' ' 116' ' ' LEU . 24.5 ptt? -64.5 -34.05 77.33 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.631 -176.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -73.8 -37.17 65.01 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 120.71 0.29 . . . . 0.0 111.43 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.0 t -64.81 -30.61 71.63 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.991 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 61.7 mt -73.98 -42.26 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.846 0.355 . . . . 0.0 110.81 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 34.8 m -84.89 11.94 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.044 0.45 . . . . 0.0 111.314 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.01 -25.05 66.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.392 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 68.2 p 61.61 152.32 0.1 Allowed Pre-proline 0 N--CA 1.476 0.863 0 C-N-CA 124.413 1.085 . . . . 0.0 112.461 -178.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 126' ' ' THR . 9.5 Cg_exo -71.73 93.69 0.7 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.846 2.364 . . . . 0.0 113.056 -177.099 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -110.86 -25.01 10.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.193 0.521 . . . . 0.0 110.032 173.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -101.26 166.12 10.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.185 176.083 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -67.03 122.76 18.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.179 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 68.18 119.67 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.91 0.862 . . . . 0.0 113.137 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 3.4 p -102.78 42.24 1.17 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.929 174.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 27.4 m -59.95 146.76 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.365 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -128.77 -61.6 1.05 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.276 -175.066 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 68.32 155.14 0.11 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.061 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 73.95 -44.08 0.56 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.499 175.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -83.81 132.46 34.82 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 172.073 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -64.27 139.02 58.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.366 0.603 . . . . 0.0 112.47 -171.297 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 25.4 m-70 -121.8 -78.32 0.6 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.977 171.673 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 56.76 -161.08 0.21 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.135 0.493 . . . . 0.0 110.493 -178.203 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -124.12 -51.32 1.78 Allowed 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 168.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 . . . . . 0 C--O 1.245 0.865 0 CA-C-N 114.744 -1.116 . . . . 0.0 108.519 168.388 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.7 ttm . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 121.038 0.447 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.82 -8.88 0.21 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.886 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 58.1 t30 69.26 -70.72 0.13 Allowed 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.431 0.692 . . . . 0.0 110.634 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.7 t70 47.78 76.97 0.1 Allowed 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.754 0.659 . . . . 0.0 112.098 176.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.475 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 17.0 p -135.58 135.02 21.38 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.736 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.581 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 6.3 Cg_exo -78.84 95.34 1.07 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.922 2.415 . . . . 0.0 111.187 174.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -67.12 -39.1 86.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.715 -176.608 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.1 p -141.35 167.71 21.51 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.495 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.48 -46.73 87.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.784 178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.436 ' HG ' HG23 ' A' ' 48' ' ' THR . 3.2 tm? -59.26 -44.59 92.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.915 178.403 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.581 ' HD1' ' HA ' ' A' ' 6' ' ' PRO . 57.9 t-105 -56.95 -50.31 73.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.823 177.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -58.08 -37.41 74.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.296 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.743 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 5.3 mmp_? -69.92 -29.14 66.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.737 -0.211 . . . . 0.0 111.369 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.8 mt -68.5 -40.51 80.86 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 174.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.8 mt -62.96 -27.44 69.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.49 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.0 m -62.09 -43.55 98.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.611 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -70.15 -32.96 71.18 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 132.37 -135.01 7.89 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.388 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.761 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 34.3 m0 71.39 155.64 0.15 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.681 0.753 . . . . 0.0 112.653 176.33 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 2.1 mp0 -87.83 116.98 67.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.238 -175.876 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 11.9 Cg_exo -71.93 114.31 3.93 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.678 2.252 . . . . 0.0 111.465 175.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.1 m -116.61 164.95 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.001 0.429 . . . . 0.0 111.519 -177.644 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -120.03 176.88 5.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.617 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.17 -32.45 72.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.096 0.474 . . . . 0.0 110.756 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 p -93.94 -3.53 51.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.21 -176.219 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.4 p -125.21 -9.3 7.03 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 31' ' ' ILE . 7.9 p -64.53 -42.38 95.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -175.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -76.17 -31.66 58.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.698 0.285 . . . . 0.0 110.448 -176.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -63.67 -39.43 94.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.449 0.642 . . . . 0.0 109.62 175.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -64.25 -49.68 70.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.451 175.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 27' ' ' VAL . 93.9 mt -58.47 -41.37 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.991 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -55.48 -36.54 66.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.722 179.457 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.6 ttt85 -80.21 -47.2 15.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.048 0.451 . . . . 0.0 111.098 -176.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.9 m -71.55 -41.84 72.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.521 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.23 -57.59 5.03 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -121.52 106.79 11.72 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -175.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.6 177.78 39.36 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.903 -177.193 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 10.3 m -132.87 140.69 46.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.014 0.435 . . . . 0.0 111.151 -178.751 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.4 HG13 ' HB3' ' A' ' 73' ' ' ALA . 4.3 mp -116.24 133.12 63.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.135 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.528 HD21 HG12 ' A' ' 58' ' ' ILE . 65.2 mt -96.97 128.79 44.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.032 175.683 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.4 mt -81.22 169.93 16.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.528 178.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.875 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -48.56 -47.57 39.39 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 123.867 0.729 . . . . 0.0 110.934 179.318 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.441 ' CB ' ' HB3' ' A' ' 93' ' ' PRO . 20.8 m 64.86 22.02 12.44 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.679 174.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.48 ' OD1' HD22 ' A' ' 77' ' ' LEU . 2.6 p-10 -143.75 165.9 22.32 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.316 -177.085 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 44' ' ' ASP . 73.8 Cg_endo -79.83 -33.04 1.3 Allowed 'Trans proline' 0 CA--C 1.535 0.542 0 C-N-CA 122.422 2.081 . . . . 0.0 112.959 176.369 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 175.55 -35.29 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -143.09 136.06 27.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.69 -1.141 . . . . 0.0 108.531 172.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.436 HG23 ' HG ' ' A' ' 10' ' ' LEU . 3.4 t -127.42 84.97 62.0 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-O 121.64 0.733 . . . . 0.0 110.734 175.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -90.23 -3.42 5.27 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.988 2.459 . . . . 0.0 111.947 176.56 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -98.8 134.66 41.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.197 -177.447 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.4 71.1 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.397 0.618 . . . . 0.0 110.199 178.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.4 p -92.46 -51.56 5.07 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.537 175.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -144.81 147.27 32.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.195 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.436 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 18.9 p-10 -151.21 129.96 6.26 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 121.054 0.454 . . . . 0.0 111.094 -174.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 54' ' ' ASN . 7.6 Cg_exo -72.58 84.73 1.18 Allowed 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 123.22 2.614 . . . . 0.0 112.817 -178.438 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 50.6 t -120.92 -37.87 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.777 174.762 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -66.49 -12.54 57.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.6 -175.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.528 HG12 HD21 ' A' ' 40' ' ' LEU . 2.0 mp -59.59 -30.87 45.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.52 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.53 -39.26 93.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.049 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.579 ' OE1' ' HD2' ' A' ' 63' ' ' ARG . 4.3 tp10 -68.9 -34.88 76.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.224 0.535 . . . . 0.0 110.01 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -67.56 -51.01 55.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.061 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.46 ' HG ' ' HB2' ' A' ' 70' ' ' TRP . 6.8 tt -55.02 -46.94 75.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.151 -178.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.579 ' HD2' ' OE1' ' A' ' 60' ' ' GLU . 7.0 ptp180 -73.58 -8.63 56.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.53 -175.103 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -82.93 -14.8 53.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.04 0.448 . . . . 0.0 110.344 -178.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -112.17 83.5 5.12 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -83.98 44.63 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.049 2.499 . . . . 0.0 112.98 -172.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -127.81 -46.22 1.42 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.335 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.527 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 13.5 m-85 -92.23 143.2 26.66 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 174.753 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -91.34 91.5 8.18 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 169.063 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.527 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 30.4 m95 -75.88 138.39 41.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.182 0.515 . . . . 0.0 111.077 -173.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -103.11 130.76 50.37 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 170.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.761 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 17.8 t -100.3 123.79 53.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.4 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -110.31 156.17 21.09 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.342 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.0 m -120.06 133.84 65.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.036 0.446 . . . . 0.0 110.67 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.9 133.75 43.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.409 178.435 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -59.73 153.85 19.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.044 178.036 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.875 ' HA ' ' HB2' ' A' ' 42' ' ' SER . 21.7 mt -56.15 -50.69 70.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.987 -177.081 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -72.41 -40.37 67.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.466 -178.192 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 20.5 mm-40 -62.33 -28.24 69.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.693 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.536 ' CB ' ' HB3' ' A' ' 42' ' ' SER . 57.8 m -62.9 -21.38 65.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.715 -179.02 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -58.38 -52.25 66.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.018 0.437 . . . . 0.0 110.396 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.46 -41.36 39.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.892 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 75.6 mt -63.2 -48.21 88.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.606 -177.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.29 -39.36 97.1 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.178 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -68.21 -39.39 82.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.161 0.505 . . . . 0.0 110.46 178.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -61.82 -33.19 73.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.338 -177.59 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -99.04 5.01 47.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.625 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 65.35 27.91 11.88 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.72 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.619 HG21 HD11 ' A' ' 96' ' ' LEU . 5.9 t -93.6 1.67 9.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.917 0.865 . . . . 0.0 108.785 175.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.424 ' N ' ' HD2' ' A' ' 90' ' ' ARG . 1.3 mpt_? 66.07 -87.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.396 -1.275 . . . . 0.0 110.951 179.172 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 91' ' ' ARG . 41.1 ttm105 -167.3 29.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.491 0.662 . . . . 0.0 109.554 -177.323 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -107.48 142.17 24.57 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.647 -178.399 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.441 ' HB3' ' CB ' ' A' ' 43' ' ' SER . 9.7 Cg_endo -55.14 120.3 7.96 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 123.004 2.47 . . . . 0.0 112.425 177.257 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -163.08 145.92 10.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.356 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.7 m -85.44 131.64 34.35 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.619 HD11 HG21 ' A' ' 89' ' ' VAL . 3.7 mm? -90.48 124.33 34.9 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.945 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.1 t -97.87 110.35 25.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.918 -178.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -114.13 136.13 53.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.332 0.587 . . . . 0.0 111.361 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.8 m -151.54 146.86 26.18 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 176.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 65.08 14.89 9.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.486 0.491 . . . . 0.0 110.411 -173.127 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 70.48 17.53 74.64 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.031 -172.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -127.02 154.18 44.97 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.662 0.268 . . . . 0.0 110.322 -175.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 61.5 tp -72.69 120.03 17.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.058 0.456 . . . . 0.0 111.087 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.775 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -93.4 -49.51 5.89 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.933 178.222 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 178.05 -170.53 42.78 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.63 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -123.81 146.64 48.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.968 0.414 . . . . 0.0 110.606 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.68 93.6 4.51 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.393 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.6 m -86.43 -15.73 39.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.936 -177.542 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -88.35 110.66 3.67 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.755 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 56.4 mt -108.96 -29.65 2.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.22 0.533 . . . . 0.0 110.313 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.619 ' H ' ' HD2' ' A' ' 112' ' ' PRO . 17.7 m170 -101.14 -48.6 0.19 Allowed Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -175.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.619 ' HD2' ' H ' ' A' ' 111' ' ' HIS . 29.4 Cg_endo -64.39 97.61 0.26 Allowed 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 121.869 1.713 . . . . 0.0 112.257 178.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.42 ' O ' ' HB2' ' A' ' 114' ' ' ALA . 6.0 t-105 -117.53 115.87 26.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.799 -176.388 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 113' ' ' TRP . . . 166.95 -65.0 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.305 1.003 . . . . 0.0 108.557 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 115' ' ' GLU . 9.2 pt-20 -79.44 -17.7 53.72 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.707 177.397 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.442 ' O ' HD23 ' A' ' 116' ' ' LEU . 6.1 tt -57.4 -33.67 68.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.603 175.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 87.0 mt -55.38 -48.09 74.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.785 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.9 m -69.0 -39.34 79.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.385 0.612 . . . . 0.0 110.845 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 119' ' ' LEU . 0.9 OUTLIER -68.88 -49.73 55.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.739 -175.071 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -59.97 -36.32 76.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.224 -0.443 . . . . 0.0 112.012 -175.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -67.66 -35.69 79.34 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.017 0.437 . . . . 0.0 111.333 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.7 m -65.08 -30.21 71.15 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.186 176.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 67.4 mt -74.72 -46.43 41.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.009 0.433 . . . . 0.0 110.618 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.4 m -84.64 33.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.234 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.95 -27.44 62.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.005 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.401 HG21 ' HD2' ' A' ' 104' ' ' ARG . 15.3 t -61.8 140.21 95.45 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.094 -178.394 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -79.35 178.0 7.92 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 122.456 2.104 . . . . 0.0 111.295 175.089 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ALA . . . . . 0.401 ' HB3' ' HE1' ' A' ' 68' ' ' PHE . . . -161.85 -166.26 1.42 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.9 95.12 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 175.432 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.7 tm0? -79.2 102.57 8.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.202 0.525 . . . . 0.0 110.161 -175.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -99.75 110.36 22.75 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 172.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 11.8 m -69.29 -27.76 65.69 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.323 -177.647 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' VAL . . . . . 0.625 HG12 ' H ' ' A' ' 135' ' ' LEU . 41.2 t 70.07 126.59 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.793 178.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -80.56 -10.66 59.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.791 -175.567 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.625 ' H ' HG12 ' A' ' 133' ' ' VAL . 41.2 tp -115.87 148.53 39.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.242 -178.137 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -76.63 165.03 25.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.969 0.414 . . . . 0.0 110.996 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -90.21 15.74 9.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.847 177.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 78.5 t60 70.09 6.67 5.87 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.994 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -158.08 139.6 13.65 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -106.38 162.38 13.74 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 21.2 p-80 -164.47 45.42 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.253 0.549 . . . . 0.0 110.516 173.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 . . . . . 0 C--O 1.245 0.856 0 CA-C-O 118.535 -0.745 . . . . 0.0 109.605 178.479 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 ttm . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.841 0.353 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.84 125.43 47.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.621 0.248 . . . . 0.0 110.592 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -70.31 -65.12 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.089 0.471 . . . . 0.0 109.789 177.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASP . . . . . 0.424 ' HB2' ' H ' ' A' ' 5' ' ' THR . 0.8 OUTLIER -119.07 -76.3 0.58 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 173.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.424 ' H ' ' HB2' ' A' ' 4' ' ' ASP . 5.0 p -143.67 126.19 8.64 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 114.638 -1.165 . . . . 0.0 109.073 175.744 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.97 -32.71 95.43 Favored 'Trans proline' 0 CA--C 1.528 0.194 0 C-N-CA 122.626 2.217 . . . . 0.0 112.831 -177.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -124.05 146.26 48.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.83 -176.649 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.3 p -63.12 -32.39 73.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.201 -178.346 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.24 -30.89 66.88 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.84 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.458 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 82.0 mt -70.94 -37.89 72.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.084 0.469 . . . . 0.0 110.545 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 44.4 t-105 -76.14 -45.35 34.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.121 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -46.64 -35.82 6.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.61 176.397 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.503 ' HG2' HD22 ' A' ' 14' ' ' LEU . 16.1 ptt180 -60.98 -31.9 71.48 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.09 -176.795 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.503 HD22 ' HG2' ' A' ' 13' ' ' ARG . 2.8 mm? -73.65 -40.53 63.66 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.052 0.453 . . . . 0.0 110.154 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.8 mt -63.96 -40.95 97.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.04 178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.4 m -66.52 -26.11 67.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.227 -179.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 17' ' ' ARG . 24.6 ttt180 -78.09 -5.64 52.16 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.982 -176.847 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.95 16.72 7.2 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.883 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.415 ' CH2' ' HA ' ' A' ' 56' ' ' VAL . 49.7 m0 -99.43 133.26 44.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.94 0.37 . . . . 0.0 110.776 177.397 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.4 mp0 -92.12 122.97 64.01 Favored Pre-proline 0 N--CA 1.448 -0.565 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.738 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.426 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 72.5 Cg_endo -79.3 103.65 1.65 Allowed 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.374 2.049 . . . . 0.0 111.133 174.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.4 m -92.36 176.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.39 0.614 . . . . 0.0 112.077 -172.811 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.536 ' HB2' HG22 ' A' ' 26' ' ' THR . 43.0 mt-10 -113.47 175.0 5.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.472 -179.305 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.11 -18.52 57.89 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.029 0.442 . . . . 0.0 110.805 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 p -89.14 -52.98 4.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.418 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.536 HG22 ' HB2' ' A' ' 23' ' ' GLU . 13.0 t -71.68 -23.17 61.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.89 -174.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.6 p -62.67 -35.05 68.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -174.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -65.25 -50.73 64.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.023 0.44 . . . . 0.0 110.534 -176.659 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.48 -37.45 80.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.652 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -56.14 -49.28 74.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.681 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.4 mt -63.88 -42.43 95.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -59.91 -38.64 82.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.311 0.577 . . . . 0.0 109.864 177.281 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 33' ' ' ARG . 11.0 ttt180 -69.59 -47.49 63.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.546 -176.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.6 m -80.05 -39.87 19.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.468 -176.469 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.22 -50.82 4.04 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.995 -0.622 . . . . 0.0 111.929 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -117.87 131.29 56.56 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.33 177.73 40.7 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.117 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.7 m -134.84 133.25 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.983 0.42 . . . . 0.0 110.955 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 39' ' ' ILE . 3.4 mp -109.31 128.22 65.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.566 178.474 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.562 ' HB2' HG12 ' A' ' 74' ' ' VAL . 4.3 mm? -104.47 131.12 52.22 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.252 178.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.605 ' HB2' ' HB2' ' A' ' 93' ' ' PRO . 56.8 mt -91.34 164.3 13.9 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.436 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.8 t -58.67 -83.48 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -172.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.9 p -157.75 -174.29 4.78 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.046 -0.409 . . . . 0.0 111.318 -176.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -138.95 93.8 10.31 Favored Pre-proline 0 C--O 1.234 0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.624 175.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -93.98 41.88 0.21 Allowed 'Trans proline' 0 N--CA 1.449 -1.099 0 C-N-CA 122.7 2.267 . . . . 0.0 111.861 177.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -129.26 -38.85 1.56 Allowed 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 178.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.427 ' HA ' ' HD2' ' A' ' 47' ' ' ARG . 9.1 tpt180 -74.79 -23.38 58.49 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 174.159 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.6 m 47.0 65.34 7.09 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 114.761 -1.109 . . . . 0.0 112.149 177.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -71.24 -32.81 12.29 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.32 2.013 . . . . 0.0 111.498 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 65.47 129.4 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.04 -172.53 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.5 t 56.44 67.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -169.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 p -71.91 153.7 41.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.221 -175.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.31 108.29 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.13 177.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -83.21 118.41 71.54 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.652 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -72.82 12.58 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 123.151 2.567 . . . . 0.0 113.743 -174.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.415 ' HA ' ' CH2' ' A' ' 19' ' ' TRP . 9.4 p -68.29 -21.53 26.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.321 0.581 . . . . 0.0 110.679 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.539 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 2.2 mpt? -83.85 1.8 41.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.85 177.302 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.423 HG13 HD13 ' A' ' 62' ' ' LEU . 10.0 tp -63.7 -21.48 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.147 0.498 . . . . 0.0 110.885 -176.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.56 ' O ' ' HG3' ' A' ' 63' ' ' ARG . . . -61.0 -43.2 99.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.726 -177.511 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 57' ' ' MET . 16.2 pt-20 -70.94 -30.06 66.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.756 0.312 . . . . 0.0 110.74 -176.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 61' ' ' LEU . 1.4 tm? -65.74 -49.39 68.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.313 0.578 . . . . 0.0 109.812 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.423 HD13 HG13 ' A' ' 58' ' ' ILE . 9.2 mp -61.46 -22.59 65.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.589 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' ' 59' ' ' ALA . 75.3 mtp180 -71.24 -11.8 61.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.423 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -88.27 -8.08 55.76 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 120.941 0.4 . . . . 0.0 110.207 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -126.85 65.19 61.95 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.18 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -77.44 7.13 3.94 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.586 2.191 . . . . 0.0 112.719 -173.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -68.83 -44.45 73.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.11 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.59 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 8.9 m-85 -96.23 162.31 13.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.232 -175.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -96.35 83.76 3.61 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.59 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 63.0 m95 -70.51 139.89 51.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.068 -175.599 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -130.29 124.27 31.99 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.436 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.8 t -96.13 127.3 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.226 -174.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.02 149.54 48.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.689 176.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.562 HG12 ' HB2' ' A' ' 40' ' ' LEU . 26.0 m -129.09 164.61 31.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.766 0.317 . . . . 0.0 111.062 -176.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.54 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -123.41 130.02 52.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.12 177.777 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.507 ' HB3' HD12 ' A' ' 77' ' ' LEU . 5.9 m-20 -61.08 -82.02 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 O-C-N 123.407 0.442 . . . . 0.0 112.005 -176.635 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.507 HD12 ' HB3' ' A' ' 76' ' ' ASP . 5.9 mp -132.4 -78.98 0.5 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.582 -178.446 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -61.06 -32.1 71.75 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.341 -177.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.54 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 22.4 mp0 -56.92 -38.87 73.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.513 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' SER . . . . . 0.493 ' HA ' HD22 ' A' ' 41' ' ' LEU . 49.6 m -61.85 -36.94 82.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.821 0.344 . . . . 0.0 110.73 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.25 -41.82 84.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.198 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.31 -45.64 25.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.531 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 72.0 mt -64.66 -43.05 96.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.784 -178.45 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.4 -52.07 53.9 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.858 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.27 -31.11 71.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.704 0.287 . . . . 0.0 110.838 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 30.7 tpt180 -54.82 -40.02 69.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.744 176.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -99.54 2.84 45.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.906 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 68.46 24.16 7.23 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.961 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.669 HG21 HD11 ' A' ' 96' ' ' LEU . 99.8 t -92.67 102.82 14.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.073 175.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -127.93 -12.59 5.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.237 -174.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 99.5 mtt180 -105.12 98.41 8.12 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.421 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 71.1 m-85 70.52 121.77 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.33 0 O-C-N 123.931 0.769 . . . . 0.0 110.834 -172.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.605 ' HB2' ' HB2' ' A' ' 41' ' ' LEU . 12.3 Cg_endo -56.48 -82.6 0.01 OUTLIER 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 123.093 2.529 . . . . 0.0 112.451 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 78.69 178.17 0.13 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.414 0.626 . . . . 0.0 112.09 166.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 106' ' ' ALA . 4.7 m -84.37 125.31 32.19 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.882 177.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.669 HD11 HG21 ' A' ' 89' ' ' VAL . 3.3 mm? -90.85 123.75 34.63 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 175.087 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' VAL . . . . . 0.661 HG11 HG21 ' A' ' 123' ' ' ILE . 38.5 t -99.86 109.37 24.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.79 -174.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -110.83 131.4 55.08 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.848 177.464 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.06 131.39 14.63 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.464 178.55 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.5 t70 65.02 20.12 12.02 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.822 0.82 . . . . 0.0 110.203 -177.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.4 7.49 78.46 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.606 -0.806 . . . . 0.0 111.968 -174.217 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -98.57 144.06 28.29 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 46.6 tp -93.26 109.94 21.46 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -81.46 -30.31 33.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.145 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 141.32 -172.85 23.65 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.996 177.063 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 95' ' ' THR . . . -98.76 172.67 7.31 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 177.391 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.438 HD11 ' HG ' ' A' ' 116' ' ' LEU . 0.3 OUTLIER -120.54 92.11 3.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.057 0.456 . . . . 0.0 109.842 -178.097 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.1 m -99.52 101.0 12.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.447 -178.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -75.18 101.71 1.38 Allowed Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.002 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.7 pt -75.92 -9.82 12.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.08 0.467 . . . . 0.0 110.781 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.423 ' HB2' ' HG2' ' A' ' 115' ' ' GLU . 33.8 m80 -144.88 142.44 18.71 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 173.112 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.75 113.16 1.12 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.098 2.532 . . . . 0.0 112.651 -177.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 62.28 -93.15 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.221 -176.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 24.44 -79.17 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 171.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.423 ' HG2' ' HB2' ' A' ' 111' ' ' HIS . 1.7 mm-40 -61.37 -24.3 66.39 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.675 -171.582 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.438 ' HG ' HD11 ' A' ' 107' ' ' LEU . 0.8 OUTLIER -55.52 -38.07 68.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.893 -176.473 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.94 -46.11 71.44 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 111.223 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.7 m -75.64 -42.68 50.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.717 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -62.31 -49.16 76.72 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.017 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -61.13 -37.08 81.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.404 -174.144 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -69.34 -37.61 77.76 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 120.874 0.369 . . . . 0.0 111.177 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.6 t -65.99 -29.37 69.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.173 0.511 . . . . 0.0 110.157 177.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.661 HG21 HG11 ' A' ' 97' ' ' VAL . 78.7 mt -74.83 -47.3 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.173 178.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 35.1 m -86.61 25.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.014 0.435 . . . . 0.0 111.72 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -63.2 -27.2 69.2 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.678 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 35.7 m -55.55 119.29 23.64 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.024 178.035 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.86 -26.28 67.39 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.891 2.394 . . . . 0.0 112.364 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 69.31 -65.81 0.28 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.453 0.701 . . . . 0.0 111.05 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.18 123.56 24.71 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 176.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 64.34 82.12 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.988 0.805 . . . . 0.0 109.786 -172.104 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.78 102.9 14.7 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.124 -179.228 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.8 m -65.71 -61.83 1.85 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.467 -175.196 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.7 p -172.55 130.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.267 0.556 . . . . 0.0 111.061 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -132.61 131.23 41.21 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.801 175.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 77.9 mt -88.3 -46.86 8.85 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.499 ' HA ' ' OE1' ' A' ' 136' ' ' GLU . 2.5 tp10 41.63 77.8 0.05 Allowed 'General case' 0 C--O 1.235 0.328 0 O-C-N 124.467 1.104 . . . . 0.0 111.147 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -63.24 108.41 1.28 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.221 -175.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 21.3 p-80 -63.9 128.54 36.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.805 175.253 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 21.3 t-80 -80.11 -55.37 4.98 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.131 -176.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.66 155.18 40.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.058 0.456 . . . . 0.0 111.173 -172.058 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -92.22 135.12 34.26 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.139 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.196 -0.907 . . . . 0.0 109.874 178.474 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.1 mmm . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.528 -0.175 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.31 108.78 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.957 0.786 . . . . 0.0 112.388 175.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 66.7 t30 66.91 19.64 10.61 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.183 174.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -87.45 160.56 18.25 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 175.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.7 m 69.32 87.43 0.11 Allowed Pre-proline 0 C--N 1.328 -0.33 0 O-C-N 123.738 0.649 . . . . 0.0 110.201 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -88.99 -162.18 0.12 Allowed 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.031 2.488 . . . . 0.0 112.57 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -83.32 -89.15 0.09 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.293 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.8 m 56.58 -161.08 0.2 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.236 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.34 -28.25 68.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.309 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.0 tp -52.31 -51.33 59.27 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.421 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.429 ' NE1' HD11 ' A' ' 15' ' ' LEU . 48.0 t-105 -82.26 -46.65 13.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.781 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -52.28 -34.4 46.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.549 -178.215 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.507 ' O ' HG22 ' A' ' 16' ' ' THR . 1.2 ppt_? -63.94 -26.38 68.57 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -176.591 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.25 -30.77 60.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.087 0.47 . . . . 0.0 110.265 175.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.429 HD11 ' NE1' ' A' ' 11' ' ' TRP . 81.6 mt -74.97 -25.82 59.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.975 -175.051 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.507 HG22 ' O ' ' A' ' 13' ' ' ARG . 7.2 t -57.05 -24.92 57.37 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.183 -174.205 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -71.54 -6.9 44.09 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.1 0.476 . . . . 0.0 111.528 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.95 17.02 11.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.53 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 48.4 m0 -88.71 135.93 33.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.784 0.326 . . . . 0.0 110.38 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -99.09 122.73 51.45 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.911 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -76.28 115.23 4.06 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.308 2.006 . . . . 0.0 111.364 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.6 m -101.45 163.48 3.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 -177.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.54 ' HB2' HG22 ' A' ' 26' ' ' THR . 35.6 mt-10 -96.88 -174.87 3.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.14 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.55 -21.72 44.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.214 0.53 . . . . 0.0 110.449 176.536 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 p -94.87 -59.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.331 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.54 HG22 ' HB2' ' A' ' 23' ' ' GLU . 13.6 t -67.04 -14.51 62.97 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.95 -173.814 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.475 HG11 HG12 ' A' ' 83' ' ' ILE . 11.4 p -62.81 -38.7 82.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.033 -178.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -69.02 -43.02 75.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.383 0.611 . . . . 0.0 109.878 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.67 -40.34 88.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.554 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -57.15 -51.54 68.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.481 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.513 ' HA ' HG22 ' A' ' 34' ' ' VAL . 94.7 mt -61.41 -41.77 91.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.82 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -60.84 -31.96 71.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.628 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.469 ' C ' ' HD3' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -80.85 -45.88 16.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -178.835 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.513 HG22 ' HA ' ' A' ' 31' ' ' ILE . 21.3 m -79.45 -39.36 20.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.151 -174.146 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.56 -48.6 3.22 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.362 -0.447 . . . . 0.0 113.002 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -119.88 125.88 49.56 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 122.328 0.251 . . . . 0.0 110.714 -175.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.56 ' HA2' ' HB3' ' A' ' 70' ' ' TRP . . . 163.83 175.11 34.41 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.98 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.0 m -130.89 141.34 46.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.79 0.329 . . . . 0.0 110.405 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.408 ' N ' HD12 ' A' ' 39' ' ' ILE . 3.4 mp -110.65 126.19 67.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.223 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.575 HD21 HD13 ' A' ' 58' ' ' ILE . 78.6 mt -97.73 122.41 40.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.396 177.331 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.4 mt -87.31 160.0 18.57 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 174.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.8 t -61.06 133.65 56.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.822 0.344 . . . . 0.0 110.08 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.415 ' HA ' ' HB3' ' A' ' 93' ' ' PRO . 8.3 t -71.52 -37.88 71.16 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 61.77 169.29 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.38 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.273 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.568 ' HA ' HG21 ' A' ' 51' ' ' VAL . 5.3 Cg_exo -80.17 42.43 1.32 Allowed 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 122.186 1.924 . . . . 0.0 109.159 162.706 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.03 -42.83 25.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.129 -172.834 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.402 ' O ' ' HB ' ' A' ' 48' ' ' THR . 23.1 ptt180 -140.38 143.86 35.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.868 -177.365 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.406 ' HA ' ' HD2' ' A' ' 49' ' ' PRO . 91.6 m 72.16 120.95 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.289 0 O-C-N 123.747 0.655 . . . . 0.0 111.695 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.512 ' O ' ' HB3' ' A' ' 50' ' ' GLU . 30.2 Cg_endo -63.69 163.59 24.03 Favored 'Trans proline' 0 C--O 1.237 0.437 0 C-N-CA 122.481 2.121 . . . . 0.0 111.589 175.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.512 ' HB3' ' O ' ' A' ' 49' ' ' PRO . 24.1 tt0 77.64 -56.53 0.51 Allowed 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.798 0.686 . . . . 0.0 110.757 -179.155 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.568 HG21 ' HA ' ' A' ' 45' ' ' PRO . 34.3 t 62.18 83.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.473 0.654 . . . . 0.0 111.594 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 52.8 m -118.42 25.28 10.4 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.28 174.064 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.435 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 38.0 t70 -77.19 101.07 6.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.452 -178.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -105.66 100.66 28.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.325 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 53' ' ' ASP . 4.5 Cg_exo -78.13 43.36 1.38 Allowed 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 123.207 2.605 . . . . 0.0 111.913 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 p -98.56 -17.63 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.47 0.652 . . . . 0.0 110.014 -178.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.607 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 85.5 mtp -87.72 -4.28 58.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.655 -178.032 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.575 HD13 HD21 ' A' ' 40' ' ' LEU . 15.1 tt -68.56 -13.32 16.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.338 0.589 . . . . 0.0 110.31 178.25 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.603 ' O ' ' HG3' ' A' ' 63' ' ' ARG . . . -58.09 -46.91 84.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.874 177.352 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' A' ' 57' ' ' MET . 12.6 pt-20 -68.94 -28.87 67.03 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.721 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.667 HD21 HD22 ' A' ' 116' ' ' LEU . 2.1 tm? -58.48 -51.27 70.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.754 175.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.428 ' HA ' HD13 ' A' ' 62' ' ' LEU . 4.2 mm? -63.59 -22.37 66.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.519 178.625 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.603 ' HG3' ' O ' ' A' ' 59' ' ' ALA . 43.4 mtp180 -77.3 -0.93 27.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.704 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . 0.49 ' HG3' HD11 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -80.1 -18.37 50.12 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 175.551 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -126.2 58.52 25.59 Favored Pre-proline 0 N--CA 1.453 -0.32 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.798 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -81.19 42.23 1.3 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.208 1.938 . . . . 0.0 111.461 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -97.21 -45.37 6.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.062 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.5 ' HD2' ' NE1' ' A' ' 70' ' ' TRP . 25.8 m-85 -88.57 -35.13 17.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.242 174.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.6 t70 57.82 89.91 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.229 -170.35 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.56 ' HB3' ' HA2' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -89.91 158.25 17.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.018 -163.714 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 72.1 mt-30 -97.03 123.43 40.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.693 0.283 . . . . 0.0 110.45 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.2 t -96.17 127.63 48.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.737 0.303 . . . . 0.0 110.72 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.89 153.86 37.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.267 177.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.555 HG12 ' HB2' ' A' ' 40' ' ' LEU . 27.3 m -129.31 165.54 29.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.08 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.39 136.93 54.99 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASP . . . . . 0.422 ' HB2' ' OE1' ' A' ' 79' ' ' GLN . 5.4 m-20 -64.41 -87.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.322 0.389 . . . . 0.0 111.701 -175.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp -130.38 -81.84 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.253 -0.279 . . . . 0.0 111.182 -178.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -59.3 -31.18 68.89 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.218 0.532 . . . . 0.0 110.807 -178.279 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.47 ' CG ' ' HA ' ' A' ' 23' ' ' GLU . 24.1 mp0 -54.19 -50.4 67.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.63 178.11 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.1 m -54.19 -43.67 70.91 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.528 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -60.45 -44.62 95.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.793 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.29 -32.77 55.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.549 -177.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.475 HG12 HG11 ' A' ' 27' ' ' VAL . 68.9 mt -66.7 -41.86 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.109 -178.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.96 -36.09 92.34 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.563 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -67.32 -44.99 77.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.341 . . . . 0.0 110.201 176.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -57.04 -42.59 80.76 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.545 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PHE . . . . . 0.661 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 22.6 m-30 -86.28 -6.76 58.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.312 -176.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 61.48 37.64 16.42 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.19 0.519 . . . . 0.0 110.699 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.6 p -99.18 4.64 10.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.708 0.766 . . . . 0.0 109.449 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.645 ' HG2' ' H ' ' A' ' 91' ' ' ARG . 59.8 ttt180 70.24 176.65 0.28 Allowed 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.785 -176.11 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.645 ' H ' ' HG2' ' A' ' 90' ' ' ARG . 74.8 mtp180 -89.6 73.67 7.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.982 0.42 . . . . 0.0 111.117 -174.394 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -142.11 150.07 54.41 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.219 177.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.415 ' HB3' ' HA ' ' A' ' 43' ' ' SER . 11.3 Cg_exo -70.02 114.56 3.78 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.405 2.07 . . . . 0.0 111.823 176.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ALA . . . . . 0.51 ' HB1' ' HB1' ' A' ' 106' ' ' ALA . . . -150.49 148.32 28.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.339 -177.857 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.8 m -86.96 120.67 28.47 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 175.304 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.661 ' HG ' ' CD2' ' A' ' 87' ' ' PHE . 3.7 mm? -91.99 124.73 36.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.958 0.408 . . . . 0.0 110.227 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.6 t -99.55 117.26 44.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.798 -176.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -116.85 132.51 56.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.048 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.1 p -133.87 121.8 22.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.227 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.2 t70 58.75 21.63 9.14 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.527 0.517 . . . . 0.0 111.674 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.71 -9.66 73.3 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.774 -176.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -94.24 144.19 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.06 0.43 . . . . 0.0 110.129 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.45 ' HB3' ' HG3' ' A' ' 131' ' ' GLU . 65.6 tp -89.13 130.05 35.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.8 0.333 . . . . 0.0 110.271 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.667 ' HA ' ' NE ' ' A' ' 104' ' ' ARG . 2.3 mmp_? -92.42 -27.45 17.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.051 0.453 . . . . 0.0 110.392 176.762 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 131.2 -162.17 23.6 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.982 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.51 ' HB1' ' HB1' ' A' ' 94' ' ' ALA . . . -99.35 152.01 20.43 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 107' ' ' LEU . 0.8 OUTLIER -108.75 105.1 14.54 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -178.402 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.5 m -146.11 102.51 3.63 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.885 177.703 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -103.35 -110.1 3.42 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.707 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.5 mp -110.47 -83.65 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -170.24 -50.32 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.292 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -75.64 -170.07 0.77 Allowed 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.075 1.85 . . . . 0.0 112.793 176.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.428 ' NE1' HD21 ' A' ' 117' ' ' LEU . 7.3 t-105 -85.75 -135.19 0.06 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.994 -176.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.41 -86.41 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 173.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -79.59 -11.97 59.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -168.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.667 HD22 HD21 ' A' ' 61' ' ' LEU . 7.3 tt -59.02 -38.76 80.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.061 178.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.49 HD11 ' HG3' ' A' ' 64' ' ' GLU . 3.3 mm? -59.82 -51.0 71.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.361 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.1 m -58.94 -47.27 85.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.304 -178.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.96 -49.79 59.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.377 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 27.2 ttt -67.43 -45.17 76.87 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -175.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.504 ' HA ' HG22 ' A' ' 124' ' ' VAL . 54.2 mtt-85 -64.26 -36.45 84.15 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 111.353 -176.727 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.7 t -60.04 -35.09 74.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.724 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.505 HG22 ' HB3' ' A' ' 104' ' ' ARG . 71.8 mt -78.58 -37.6 21.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.185 -178.054 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 121' ' ' ARG . 35.1 m -89.08 9.27 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 111.6 -177.092 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -68.51 -34.26 75.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.079 0.466 . . . . 0.0 110.618 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 4.2 t -130.35 124.58 21.27 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.662 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -81.61 -18.65 7.98 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.524 2.149 . . . . 0.0 111.779 175.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.4 109.35 19.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.763 -176.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -151.9 -172.0 4.1 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.881 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -91.13 16.09 10.44 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -176.676 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' GLU . . . . . 0.45 ' HG3' ' HB3' ' A' ' 103' ' ' LEU . 8.8 tp10 -110.65 100.71 9.44 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 174.234 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 11.7 t -131.42 160.98 33.51 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.76 -174.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 58.7 t -126.2 130.87 72.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -67.69 132.56 47.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.744 0.307 . . . . 0.0 110.234 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 135' ' ' LEU . 3.8 mm? -71.34 97.25 1.56 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.237 0.542 . . . . 0.0 111.202 -174.474 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.525 ' HG3' ' H ' ' A' ' 138' ' ' HIS . 10.1 tp10 -95.66 134.12 38.93 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.957 177.292 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -71.47 -25.63 62.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.906 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 138' ' ' HIS . . . . . 0.525 ' H ' ' HG3' ' A' ' 136' ' ' GLU . 66.6 m-70 62.18 81.98 0.19 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.346 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 45.9 m80 72.9 139.86 0.06 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.246 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -71.01 -35.58 72.1 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.415 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.15 100.61 10.85 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 173.207 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.267 -0.873 . . . . 0.0 111.089 -173.501 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 pmm? . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 120.637 0.256 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.2 121.94 26.22 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.064 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -135.07 -50.57 0.76 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.864 -176.469 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.9 t70 61.78 102.93 0.03 OUTLIER 'General case' 0 C--O 1.233 0.206 0 O-C-N 124.082 0.864 . . . . 0.0 110.389 -172.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 m 68.03 69.24 0.47 Allowed Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.738 -178.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -72.5 -37.81 3.91 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.807 2.338 . . . . 0.0 112.541 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -144.32 160.79 40.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.48 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.6 m -123.72 157.69 33.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.083 -176.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.546 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -64.85 -54.76 25.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.65 -178.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 11' ' ' TRP . 4.1 pp -60.24 -27.75 67.47 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.001 0.429 . . . . 0.0 111.082 -178.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.513 ' N ' HD12 ' A' ' 10' ' ' LEU . 43.0 t-105 -66.72 -52.31 45.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.839 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -61.28 -28.0 68.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.736 177.652 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 22.4 mmt180 -59.37 -43.66 92.83 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.053 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.1 mt -65.42 -47.08 77.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.565 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.441 HD22 ' HG3' ' A' ' 21' ' ' PRO . 84.8 mt -59.74 -39.99 86.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.734 179.46 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.6 m -67.63 -26.79 66.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.851 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 ttp85 -77.3 -43.75 32.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.96 0.409 . . . . 0.0 110.123 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.5 -148.63 20.03 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.866 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.607 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 33.5 m0 68.97 154.28 0.11 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.491 0.662 . . . . 0.0 112.246 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -91.19 123.85 63.18 Favored Pre-proline 0 N--CA 1.45 -0.461 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.76 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.441 ' HG3' HD22 ' A' ' 15' ' ' LEU . 5.1 Cg_exo -79.05 111.53 2.94 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.827 2.351 . . . . 0.0 111.302 175.759 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.2 m -105.72 156.1 6.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.192 0.52 . . . . 0.0 111.616 -176.417 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.63 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 33.8 mt-10 -105.54 -178.83 3.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.464 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.29 -9.67 59.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.195 0.521 . . . . 0.0 110.046 174.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.8 t -99.67 -59.13 1.78 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.008 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.2 t -82.64 6.31 18.2 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -173.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.63 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.5 p -63.38 -51.59 68.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -175.096 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -74.54 -17.85 60.68 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 122.207 -0.308 . . . . 0.0 111.239 -178.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASP . . . . . 0.599 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 32.8 t70 -75.28 -37.06 61.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.257 0.551 . . . . 0.0 109.668 175.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -66.48 -47.53 72.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.748 174.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 27' ' ' VAL . 94.7 mt -58.42 -44.32 88.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.864 -178.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -62.75 -27.47 69.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -177.074 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -81.5 -46.27 14.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.246 0.546 . . . . 0.0 111.049 -176.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.565 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 35.4 m -78.07 -40.43 26.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.298 -177.218 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.57 -57.81 5.01 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 111.85 -0.5 . . . . 0.0 111.85 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 70' ' ' TRP . 46.5 m-20 -113.27 107.88 16.5 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -177.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.97 167.08 35.86 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 119.707 -1.235 . . . . 0.0 112.874 -175.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 7.9 m -132.76 127.98 56.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.031 0.443 . . . . 0.0 110.632 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.596 ' HB ' ' HB2' ' A' ' 96' ' ' LEU . 4.1 mp -96.83 116.02 37.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.873 178.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.47 HD23 HG23 ' A' ' 95' ' ' THR . 53.7 mt -83.51 118.44 23.78 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 174.848 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.7 mt -68.31 164.19 21.3 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.9 t -55.98 -22.56 27.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.784 -176.026 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.695 ' HA ' ' HB3' ' A' ' 93' ' ' PRO . 19.9 m 59.81 34.13 21.8 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.006 0.431 . . . . 0.0 110.806 177.137 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.462 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 9.5 t70 -53.14 129.04 49.5 Favored Pre-proline 0 C--O 1.235 0.328 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.666 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 1.4 Cg_endo -80.61 65.88 8.87 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 122.896 2.397 . . . . 0.0 112.503 -177.75 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.79 -49.81 74.85 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 175.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -104.01 132.85 49.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.003 175.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 m 57.24 75.62 0.55 Allowed Pre-proline 0 CA--C 1.537 0.468 0 CA-C-O 121.409 0.623 . . . . 0.0 111.456 -178.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -86.65 53.58 2.94 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 123.76 2.973 . . . . 0.0 111.896 178.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -90.23 -61.94 1.57 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.018 -178.228 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' A' ' 52' ' ' SER . 44.2 t -78.17 -25.8 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.403 -177.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.43 ' O ' ' HG3' ' A' ' 45' ' ' PRO . 33.0 t 71.53 -80.93 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.271 179.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -130.81 115.88 17.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.179 0.514 . . . . 0.0 111.045 -174.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -154.39 75.48 5.82 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.169 175.302 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -96.17 15.34 0.92 Allowed 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 123.286 2.657 . . . . 0.0 112.163 177.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.457 ' O ' ' HB2' ' A' ' 57' ' ' MET . 26.7 m -85.79 166.75 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.774 177.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.457 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 24.2 mmt 72.67 -3.07 2.46 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.627 0.579 . . . . 0.0 111.848 -178.542 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.9 tp -80.66 -16.28 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.209 0.528 . . . . 0.0 110.055 175.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.19 -28.4 66.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.716 -173.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.491 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 0.1 OUTLIER -71.28 -29.17 64.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.706 0.288 . . . . 0.0 111.304 -177.22 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.579 HD23 ' CH2' ' A' ' 113' ' ' TRP . 2.9 tm? -53.86 -48.27 70.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.837 0.827 . . . . 0.0 109.907 176.669 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -58.7 -33.98 70.8 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.391 -1.277 . . . . 0.0 112.207 -178.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.491 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 10.7 ptp180 -89.7 15.62 9.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.056 0.455 . . . . 0.0 111.304 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.35 -8.21 53.68 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 169.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -124.1 78.3 59.37 Favored Pre-proline 0 N--CA 1.452 -0.332 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.709 -178.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -81.31 41.33 1.12 Allowed 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.156 1.904 . . . . 0.0 111.254 178.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLN . . . . . 0.431 ' HB3' ' HB3' ' A' ' 127' ' ' PRO . 81.2 mt-30 -110.12 -24.41 10.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.433 -178.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' PHE . . . . . 0.538 ' CE1' ' HA ' ' A' ' 127' ' ' PRO . 1.9 m-85 -119.49 -179.67 3.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.729 173.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -125.64 93.66 3.91 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 170.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' TRP . . . . . 0.448 ' CZ2' ' CD2' ' A' ' 68' ' ' PHE . 19.1 m95 -79.91 139.39 37.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.019 -168.201 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLN . . . . . 0.565 ' OE1' ' HB ' ' A' ' 34' ' ' VAL . 27.6 mp0 -111.48 128.19 55.93 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.031 169.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.607 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 22.5 t -99.5 134.9 37.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 120.898 0.38 . . . . 0.0 110.412 -178.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.75 161.57 27.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.823 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.7 m -134.53 165.61 30.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.618 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.93 148.55 43.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.041 -178.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.65 174.27 1.06 Allowed 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.545 0.528 . . . . 0.0 111.501 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.7 mt -57.42 -40.87 79.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.061 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -77.29 -48.14 18.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.613 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -61.18 -32.07 71.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.336 -175.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.4 p -65.92 -34.43 78.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -176.657 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -73.97 -41.88 61.31 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.015 176.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.62 -46.1 91.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.898 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.2 mt -67.5 -35.77 74.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.411 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.8 -35.93 90.95 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.001 -0.618 . . . . 0.0 111.843 175.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -76.77 -37.34 56.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.098 0.475 . . . . 0.0 110.546 177.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -54.61 -42.54 71.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.641 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -102.1 -0.92 32.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.662 0.268 . . . . 0.0 110.91 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 58.32 54.73 5.48 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.448 0.642 . . . . 0.0 110.802 -178.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.403 HG22 HD11 ' A' ' 96' ' ' LEU . 21.8 t -76.25 -15.09 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.739 -177.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 91' ' ' ARG . 14.5 tpp85 72.15 21.79 3.83 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.332 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' A' ' 90' ' ' ARG . 86.6 mtt180 72.01 -168.1 0.14 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.959 177.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.415 ' H ' ' HB3' ' A' ' 91' ' ' ARG . 97.5 m-85 73.32 145.34 0.11 Allowed Pre-proline 0 N--CA 1.468 0.453 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.111 -176.223 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.695 ' HB3' ' HA ' ' A' ' 43' ' ' SER . 28.7 Cg_endo -63.21 124.85 14.59 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.647 2.231 . . . . 0.0 112.61 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -162.01 153.47 18.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.16 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.47 HG23 HD23 ' A' ' 40' ' ' LEU . 15.9 m -90.85 134.05 34.75 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.344 174.448 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.596 ' HB2' ' HB ' ' A' ' 39' ' ' ILE . 3.8 mm? -90.46 124.14 34.73 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.535 177.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 42.3 t -99.03 116.01 41.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.474 -174.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -120.74 136.13 54.96 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.779 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.2 p -140.15 133.47 29.85 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.16 14.37 2.0 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.811 0.844 . . . . 0.0 112.433 -179.116 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.75 -8.08 68.18 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.285 -177.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -97.57 144.8 26.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.997 0.427 . . . . 0.0 111.76 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.4 tp -76.57 131.14 38.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.377 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.544 ' HB3' ' CG2' ' A' ' 123' ' ' ILE . 1.9 mmp_? -100.27 -34.85 9.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.697 176.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 150.6 -161.28 28.93 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.52 -0.847 . . . . 0.0 112.295 178.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -117.97 138.15 52.37 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.438 ' HB3' ' HB ' ' A' ' 95' ' ' THR . 44.4 tp -93.11 80.79 4.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.142 0.496 . . . . 0.0 110.047 -176.414 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.2 p -108.2 64.23 0.62 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.535 175.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -75.3 113.29 3.9 Favored Glycine 0 N--CA 1.444 -0.791 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.463 -177.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 55.4 mt -82.59 -27.07 8.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.494 0.664 . . . . 0.0 109.591 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.693 ' HB3' ' HG3' ' A' ' 115' ' ' GLU . 17.3 m170 -85.47 126.65 66.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.733 174.601 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 111' ' ' HIS . 17.0 Cg_exo -69.01 -166.25 0.16 Allowed 'Trans proline' 0 C--O 1.238 0.505 0 C-N-CA 123.574 2.849 . . . . 0.0 113.818 -174.768 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.579 ' CH2' HD23 ' A' ' 61' ' ' LEU . 9.9 t-105 -70.21 99.84 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.154 -174.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 164.05 -28.65 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 -175.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.693 ' HG3' ' HB3' ' A' ' 111' ' ' HIS . 9.4 mm-40 -110.22 -32.55 6.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 113.793 -1.549 . . . . 0.0 110.404 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.3 tt -57.9 -38.44 75.84 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.168 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 89.0 mt -54.44 -54.91 34.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.008 -178.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 48.1 m -65.2 -43.33 91.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.203 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -61.4 -49.74 75.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.456 -177.038 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' MET . . . . . 0.494 ' O ' HG22 ' A' ' 124' ' ' VAL . 14.5 tpt -64.48 -46.87 81.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.094 -178.257 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -64.03 -30.34 71.42 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.052 0.453 . . . . 0.0 111.303 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.1 t -59.47 -31.03 68.96 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.877 175.076 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.544 ' CG2' ' HB3' ' A' ' 104' ' ' ARG . 50.0 mt -91.49 -48.79 13.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.265 -177.514 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 120' ' ' MET . 28.4 m -89.37 35.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.089 0.471 . . . . 0.0 111.378 -177.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -56.85 -40.46 76.15 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.072 -176.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.9 t -94.0 122.98 60.68 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 121.015 0.436 . . . . 0.0 111.285 -178.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.538 ' HA ' ' CE1' ' A' ' 68' ' ' PHE . 87.0 Cg_endo -80.2 172.06 14.27 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.822 2.348 . . . . 0.0 112.463 178.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.36 -31.56 58.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.943 176.519 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -149.37 -91.41 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.775 175.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 16.4 mp0 -136.49 -88.26 0.3 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 173.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -127.6 115.95 19.58 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 171.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 24.9 m -71.45 -45.58 62.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.197 -176.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.3 p -111.81 116.18 51.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.312 0.577 . . . . 0.0 110.796 -176.659 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -88.11 -32.19 18.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.454 -175.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.832 ' H ' HD23 ' A' ' 135' ' ' LEU . 2.0 pt? -84.34 9.11 13.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.959 0.409 . . . . 0.0 111.403 -175.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -123.45 83.19 2.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.269 0.557 . . . . 0.0 109.885 176.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -141.54 21.91 2.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.691 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -103.96 162.02 13.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.48 -178.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -127.01 156.27 41.89 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.816 0.341 . . . . 0.0 110.466 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -107.0 173.28 6.39 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -103.12 -59.55 1.69 Allowed 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 176.72 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 37.9 t60 . . . . . 0 C--O 1.25 1.129 0 CA-C-O 117.537 -1.221 . . . . 0.0 107.782 175.211 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.2 mtt . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.06 87.23 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.785 0.326 . . . . 0.0 111.149 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -169.24 116.33 0.61 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.352 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -137.44 151.77 48.87 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 173.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.5 p 65.78 157.69 0.13 Allowed Pre-proline 0 N--CA 1.475 0.818 0 C-N-CA 124.299 1.04 . . . . 0.0 111.139 -173.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -78.69 5.72 5.4 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.777 2.318 . . . . 0.0 112.255 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 49.73 55.74 8.93 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 123.425 0.453 . . . . 0.0 111.445 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.3 t 65.38 -160.02 0.28 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.469 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.9 -34.41 39.06 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.548 0.203 . . . . 0.0 111.548 -176.174 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 6.3 tt -52.93 -51.58 60.84 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 123.408 0.442 . . . . 0.0 111.595 -174.515 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.1 t-105 -74.31 -48.23 29.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.716 0.293 . . . . 0.0 110.786 -178.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -47.22 -44.3 22.38 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.79 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -59.8 -38.39 81.81 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.723 0.297 . . . . 0.0 111.582 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.64 HD13 HG11 ' A' ' 74' ' ' VAL . 53.9 mt -66.4 -41.01 89.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.922 0.392 . . . . 0.0 110.142 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.28 -34.65 76.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.709 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.1 m -61.36 -27.44 68.52 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.467 -177.316 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -88.4 4.37 46.56 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.765 0.316 . . . . 0.0 111.634 -177.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.61 25.26 47.27 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.887 -0.673 . . . . 0.0 113.24 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' TRP . . . . . 0.451 ' HE3' HG21 ' A' ' 74' ' ' VAL . 53.3 m0 -84.94 141.74 30.15 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.11 0.481 . . . . 0.0 111.148 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.9 mp0 -89.22 136.14 30.56 Favored Pre-proline 0 N--CA 1.447 -0.599 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.872 -177.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 73.3 Cg_endo -82.97 118.43 2.71 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.399 2.066 . . . . 0.0 111.637 173.757 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.466 HG13 ' HB1' ' A' ' 73' ' ' ALA . 12.9 m -104.45 155.35 6.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.898 0.38 . . . . 0.0 111.105 -178.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . 0.588 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 49.5 mt-10 -125.23 172.38 9.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.662 -177.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.58 -23.9 63.61 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -173.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.1 t -94.35 -14.12 25.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.713 0.292 . . . . 0.0 111.653 -176.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.53 HG22 ' HB2' ' A' ' 23' ' ' GLU . 8.4 t -121.08 -8.36 9.31 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.555 -0.458 . . . . 0.0 111.896 -176.162 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.5 ' O ' HG13 ' A' ' 31' ' ' ILE . 7.7 p -59.11 -46.02 92.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 121.282 -0.167 . . . . 0.0 111.4 -176.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -70.46 -30.36 67.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 0.0 110.607 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -73.95 -36.73 64.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.181 0.515 . . . . 0.0 110.209 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -65.95 -44.04 86.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.932 175.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 27' ' ' VAL . 87.9 mt -59.4 -40.41 81.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.27 176.263 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -61.15 -31.24 70.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.787 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 33' ' ' ARG . 2.2 tmm_? -79.89 -44.51 20.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -176.783 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.2 m -85.91 -41.59 15.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.182 -175.403 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.479 ' HA2' ' HA2' ' A' ' 101' ' ' GLY . . . 82.37 -52.51 4.67 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.727 -176.4 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -126.11 133.66 51.57 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.825 0.345 . . . . 0.0 110.093 -176.135 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.4 -171.68 40.74 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.067 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.3 m -136.06 137.19 48.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.232 0.539 . . . . 0.0 111.356 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.44 HD13 ' CD2' ' A' ' 98' ' ' PHE . 2.5 mp -106.32 125.35 62.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.224 175.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.502 HD21 HG12 ' A' ' 58' ' ' ILE . 71.6 mt -98.1 123.48 42.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.49 -178.211 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.63 159.91 25.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.98 0.419 . . . . 0.0 110.787 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.6 t -64.69 134.89 55.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.341 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.428 ' OG ' ' HD3' ' A' ' 55' ' ' PRO . 19.7 m -99.4 19.53 15.41 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -178.205 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.565 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 33.9 t70 -58.15 -52.67 72.86 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.338 177.717 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' PRO . . . . . 0.565 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 87.4 Cg_endo -82.36 52.58 4.17 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.998 1.799 . . . . 0.0 112.376 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 68.1 ttt180 -77.08 98.78 5.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.15 0.5 . . . . 0.0 111.359 -177.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -118.69 24.02 11.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.624 0.726 . . . . 0.0 109.072 171.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' THR . . . . . 0.477 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 2.2 m -111.46 108.94 56.4 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.471 -175.423 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 48' ' ' THR . 55.7 Cg_endo -98.54 131.8 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 123.482 2.788 . . . . 0.0 114.986 -174.846 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 58.56 41.16 22.85 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.067 -0.97 . . . . 0.0 113.617 167.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' VAL . . . . . 0.468 ' HB ' ' O ' ' A' ' 109' ' ' GLY . 21.2 m -136.7 -170.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 173.72 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.9 m -80.55 85.15 6.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.688 0.28 . . . . 0.0 110.937 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.524 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 1.2 p-10 -137.41 -177.78 4.93 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.387 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.524 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 2.9 m-20 75.23 157.48 0.16 Allowed Pre-proline 0 N--CA 1.473 0.724 0 O-C-N 123.704 0.628 . . . . 0.0 111.114 -175.325 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.487 ' HA ' HD13 ' A' ' 40' ' ' LEU . 6.8 Cg_exo -75.43 -18.87 17.49 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.768 2.312 . . . . 0.0 112.032 177.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.504 HG22 ' HB3' ' A' ' 54' ' ' ASN . 27.6 m -79.22 159.79 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.661 -179.393 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' MET . . . . . 0.436 ' HB3' ' O ' ' A' ' 56' ' ' VAL . 56.8 ttp 81.47 -13.27 0.91 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.888 0.875 . . . . 0.0 110.62 -179.564 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.502 HG12 HD21 ' A' ' 40' ' ' LEU . 1.7 mp -71.28 -31.15 42.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.46 176.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.73 -55.27 32.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.866 0.365 . . . . 0.0 111.042 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.727 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 1.6 pm0 -63.45 -29.08 70.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.645 177.219 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.43 HD21 ' CD2' ' A' ' 116' ' ' LEU . 2.1 tm? -58.41 -45.15 88.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.323 0.582 . . . . 0.0 110.909 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 90.9 mt -48.94 -32.15 8.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.819 -1.082 . . . . 0.0 113.676 -174.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.727 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 14.7 ptt180 -74.39 -0.95 18.93 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -175.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.33 -30.52 33.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.273 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -118.3 88.31 32.59 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.225 -174.667 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -88.08 42.87 0.76 Allowed 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.697 2.265 . . . . 0.0 111.12 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -85.39 -41.56 15.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.098 -177.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.02 -178.73 7.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.632 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -88.7 107.2 18.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.766 0.317 . . . . 0.0 110.538 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -82.95 139.08 33.55 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.289 0.566 . . . . 0.0 110.596 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -121.88 139.94 53.02 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.153 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.5 t -112.86 132.17 62.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.981 0.42 . . . . 0.0 110.958 -173.578 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.466 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -133.86 146.6 50.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.99 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' VAL . . . . . 0.64 HG11 HD13 ' A' ' 14' ' ' LEU . 10.2 t -131.55 160.18 42.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.893 0.378 . . . . 0.0 110.886 -174.52 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.508 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -121.35 143.07 49.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.732 174.531 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.22 -65.95 0.63 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 111.469 -176.353 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.586 HD12 ' N ' ' A' ' 78' ' ' GLU . 1.5 pp -165.74 -32.54 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.222 177.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLU . . . . . 0.586 ' N ' HD12 ' A' ' 77' ' ' LEU . 8.8 tp10 -67.22 -53.09 33.34 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.481 0.657 . . . . 0.0 110.619 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.588 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 10.0 mp0 -72.68 -37.36 67.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.432 -174.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.2 p -61.14 -37.0 81.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.333 -178.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -61.92 -42.29 98.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.223 0.535 . . . . 0.0 109.992 177.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.29 -49.31 28.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.011 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.36 -47.15 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.908 -176.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.29 -45.82 95.41 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.118 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -71.34 -32.04 68.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.934 0.397 . . . . 0.0 110.715 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -60.38 -49.06 79.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.097 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -87.25 -0.46 56.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.131 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 10.0 m120 64.32 27.78 13.76 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.134 175.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.432 HG21 HD11 ' A' ' 96' ' ' LEU . 47.2 t -87.89 78.38 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.132 0.492 . . . . 0.0 111.736 -172.728 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 51.92 -151.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.999 172.52 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ARG . . . . . 0.497 ' HD3' ' HA ' ' A' ' 91' ' ' ARG . 11.5 mmt180 -143.92 35.1 1.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.782 0.325 . . . . 0.0 111.353 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' PHE . . . . . 0.518 ' HB2' ' HD2' ' A' ' 93' ' ' PRO . 54.6 p90 -138.42 159.7 66.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.833 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . 0.518 ' HD2' ' HB2' ' A' ' 92' ' ' PHE . 11.7 Cg_endo -55.21 126.21 21.78 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.034 2.489 . . . . 0.0 112.651 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -152.01 136.25 16.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.203 -177.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.474 HG23 HD23 ' A' ' 40' ' ' LEU . 49.4 m -79.0 130.07 35.13 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 174.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.432 HD11 HG21 ' A' ' 89' ' ' VAL . 3.3 mm? -91.52 124.42 35.67 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.087 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 28.9 t -97.72 105.87 17.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.324 -176.503 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' PHE . . . . . 0.51 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 30.7 m-85 -106.16 132.0 52.74 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.779 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 p -155.28 148.23 24.53 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.204 -178.329 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.7 t70 66.14 19.75 11.13 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.366 0.603 . . . . 0.0 109.928 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' GLY . . . . . 0.479 ' HA2' ' HA2' ' A' ' 35' ' ' GLY . . . 77.41 4.46 84.36 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.544 -176.16 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -128.71 166.21 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.035 0.445 . . . . 0.0 111.289 -173.709 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.51 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 65.6 tp -91.01 133.52 35.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.155 178.389 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -102.14 -32.26 10.2 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.858 0.361 . . . . 0.0 110.679 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 159.63 -171.81 36.11 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.989 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -107.53 156.43 19.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.711 0.291 . . . . 0.0 110.272 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.514 HD11 ' HG ' ' A' ' 116' ' ' LEU . 31.3 tp -94.5 84.84 4.39 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.216 0.531 . . . . 0.0 110.743 -177.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.0 m -96.15 76.88 3.06 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 171.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.468 ' O ' ' HB ' ' A' ' 51' ' ' VAL . . . -85.68 115.22 4.13 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.796 -173.218 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ILE . . . . . 0.454 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 19.9 pt -73.64 138.55 21.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 173.647 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' HIS . . . . . 0.454 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 94.9 m-70 73.05 145.43 0.11 Allowed Pre-proline 0 N--CA 1.469 0.492 0 O-C-N 123.842 0.714 . . . . 0.0 109.994 -171.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -54.16 -50.09 14.79 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.978 2.452 . . . . 0.0 112.164 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -151.46 116.24 5.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.232 176.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 174.62 -75.55 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.149 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -70.42 -25.31 63.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.866 -177.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' LEU . . . . . 0.514 ' HG ' HD11 ' A' ' 107' ' ' LEU . 6.8 tt -50.25 -42.11 51.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.036 176.558 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.88 -56.23 24.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.711 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.1 m -58.63 -47.64 83.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.38 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' LEU . . . . . 0.457 ' O ' HG13 ' A' ' 123' ' ' ILE . 4.3 mm? -66.06 -49.91 66.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.742 -176.268 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 43.6 mtp -70.58 -33.88 71.57 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.784 -176.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.516 ' HA ' HG22 ' A' ' 124' ' ' VAL . 66.6 mtt180 -64.99 -36.49 84.57 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.711 177.428 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.3 t -67.51 -35.85 79.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.779 175.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 119' ' ' LEU . 75.4 mt -66.51 -46.13 87.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.087 178.152 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' VAL . . . . . 0.516 HG22 ' HA ' ' A' ' 121' ' ' ARG . 33.5 m -81.4 35.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.253 0.549 . . . . 0.0 111.636 -177.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -83.32 5.64 22.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.525 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' THR . . . . . 0.429 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 21.2 p -51.23 124.84 23.64 Favored Pre-proline 0 C--O 1.234 0.282 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.513 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 126' ' ' THR . 8.1 Cg_exo -72.89 171.68 16.95 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 123.072 2.515 . . . . 0.0 112.26 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 68.79 14.67 8.97 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.719 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -85.78 89.1 7.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.12 0.486 . . . . 0.0 109.977 177.099 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -153.39 156.85 39.04 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.357 -176.094 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -79.5 25.68 0.32 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.775 0.322 . . . . 0.0 111.774 -176.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 6.7 p -70.29 -40.71 74.12 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 171.109 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 27.1 m -101.78 178.16 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.263 168.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLN . . . . . 0.402 ' HG2' ' HG2' ' A' ' 136' ' ' GLU . 57.4 tt0 61.99 89.24 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.314 0.578 . . . . 0.0 110.942 178.735 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' LEU . . . . . 0.869 ' H ' HD23 ' A' ' 135' ' ' LEU . 1.0 OUTLIER -81.24 90.68 6.11 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.377 0.608 . . . . 0.0 109.371 176.095 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 136' ' ' GLU . . . . . 0.402 ' HG2' ' HG2' ' A' ' 134' ' ' GLN . 6.9 mm-40 -104.07 176.61 5.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.72 0.772 . . . . 0.0 113.042 -171.839 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -158.55 34.18 0.23 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.122 -1.399 . . . . 0.0 108.748 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -115.85 92.43 3.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.625 -172.458 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -125.03 133.01 53.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -82.13 118.48 23.09 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.274 0.559 . . . . 0.0 112.194 -177.437 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -114.11 1.26 14.54 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 165.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 . . . . . 0 C--O 1.243 0.716 0 CA-C-N 113.553 -1.658 . . . . 0.0 107.805 170.227 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 . . . . . 0 CA--C 1.532 0.266 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.723 ' HG3' HD22 ' A' ' 14' ' ' LEU . 20.9 ptt180 -60.28 -29.87 69.1 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.811 178.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.723 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.8 mm? -70.59 -35.79 73.21 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-O 120.929 0.395 . . . . 0.0 110.103 176.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.08 -26.61 65.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.156 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.9 m -67.96 -27.55 66.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.299 175.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 17' ' ' ARG . 22.2 ttm-85 -82.08 -32.78 30.14 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.77 -146.46 18.47 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.536 -0.757 . . . . 0.0 112.224 173.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.73 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 27.0 m0 68.58 158.31 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.908 0.883 . . . . 0.0 113.009 175.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -98.98 131.7 24.96 Favored Pre-proline 0 N--CA 1.449 -0.475 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.001 -177.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -79.32 119.1 4.09 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 122.322 2.015 . . . . 0.0 111.52 173.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.3 m -122.39 164.25 19.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.013 0.435 . . . . 0.0 111.988 -175.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.512 ' HB2' HG22 ' A' ' 26' ' ' THR . 45.1 mt-10 -111.88 174.42 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 176.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.31 72.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.886 0.374 . . . . 0.0 110.736 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.3 t -80.85 -58.12 3.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.42 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.512 HG22 ' HB2' ' A' ' 23' ' ' GLU . 14.4 t -73.67 -6.18 45.18 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -171.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.5 p -67.65 -26.54 35.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.61 -53.25 58.8 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.437 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -65.61 -35.87 82.07 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.905 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -58.6 -50.54 73.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.525 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 27' ' ' VAL . 85.9 mt -58.97 -47.34 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.575 -178.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -27.52 69.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.172 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.526 ' O ' ' HD3' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -81.61 -45.14 16.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.68 0.276 . . . . 0.0 110.634 -179.168 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.507 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 34.6 m -76.95 -39.31 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.761 -175.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.73 -56.57 5.04 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 121.108 -0.567 . . . . 0.0 112.257 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -123.32 122.08 37.42 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -176.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.52 -177.33 48.31 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 120.071 -1.062 . . . . 0.0 112.827 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.447 ' HB ' ' CG2' ' A' ' 95' ' ' THR . 14.2 m -139.69 135.92 39.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.043 0.449 . . . . 0.0 110.605 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.401 ' N ' HD12 ' A' ' 39' ' ' ILE . 3.4 mp -102.63 125.39 56.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.3 mt -93.45 118.71 31.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.792 176.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.463 HD22 ' HA ' ' A' ' 80' ' ' SER . 88.5 mt -84.15 173.92 10.66 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.5 t . . . . . 0 C--N 1.325 -0.488 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.53 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 m . . . . . 0 CA--C 1.529 0.144 0 CA-C-O 121.112 0.482 . . . . 0.0 110.767 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.4 ptt? -92.18 -4.97 53.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.044 0.449 . . . . 0.0 110.76 -176.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.0 tp -72.88 -21.51 19.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.308 0.575 . . . . 0.0 110.078 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.17 -46.69 76.51 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.456 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.675 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 11.7 pt-20 -70.01 -29.25 66.27 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.696 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.12 -51.93 67.02 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 173.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.1 tt -55.21 -42.7 73.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.211 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.675 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 5.2 ptp180 -80.22 -8.98 59.7 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -176.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.41 ' HA ' ' OE1' ' A' ' 64' ' ' GLU . 4.3 tp10 -83.21 -17.95 40.98 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.484 ' HE2' ' SD ' ' A' ' 120' ' ' MET . 20.0 m-85 -119.9 73.18 17.9 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.857 175.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -82.48 9.96 3.79 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.819 2.346 . . . . 0.0 112.609 -173.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -71.84 -35.31 69.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.404 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.524 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 4.5 m-85 -112.79 160.07 18.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.083 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -102.81 97.35 7.51 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 173.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.524 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 12.1 m95 -84.78 136.28 33.76 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.423 -171.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.507 ' OE1' ' HB ' ' A' ' 34' ' ' VAL . 28.0 mp0 -102.45 130.65 49.3 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 170.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.73 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 22.7 t -104.97 137.06 36.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.44 158.99 33.02 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.762 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 13.7 m -118.14 134.4 61.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.883 177.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.602 ' O ' ' HB2' ' A' ' 79' ' ' GLN . . . -102.27 24.54 10.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.166 -172.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.535 ' CG ' ' H ' ' A' ' 77' ' ' LEU . 18.8 t70 54.66 -157.8 0.2 Allowed 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.535 ' H ' ' CG ' ' A' ' 76' ' ' ASP . 6.2 mp -101.15 -35.89 9.15 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 177.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -77.11 -53.8 7.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.035 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.602 ' HB2' ' O ' ' A' ' 75' ' ' ALA . 63.5 mm-40 -57.91 -33.65 69.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.888 -174.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.463 ' HA ' HD22 ' A' ' 41' ' ' LEU . 72.4 m -53.01 -33.89 53.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.356 178.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . 0.535 ' HG3' ' HD2' ' A' ' 91' ' ' ARG . 38.2 tt0 -72.82 -42.95 63.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.633 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.11 -42.2 60.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.873 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.461 HD12 ' HB1' ' A' ' 75' ' ' ALA . 60.0 mt -64.59 -44.24 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 178.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.486 ' HA2' HG12 ' A' ' 89' ' ' VAL . . . -60.56 -39.07 95.94 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.026 178.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -62.72 -46.11 89.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.822 0.344 . . . . 0.0 110.485 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -62.34 -42.41 99.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.222 -177.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -92.18 5.29 50.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.988 0.423 . . . . 0.0 111.337 -175.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 12.3 m120 68.05 34.5 4.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.3 170.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.505 HG21 ' HB3' ' A' ' 94' ' ' ALA . 8.0 p -95.06 9.88 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 122.076 0.941 . . . . 0.0 108.462 173.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 72.56 -81.85 0.03 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-N 113.907 -1.497 . . . . 0.0 110.938 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.535 ' HD2' ' HG3' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -171.58 19.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.338 . . . . 0.0 110.746 -179.448 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -104.58 155.62 37.12 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.263 -175.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 27.8 Cg_exo -62.24 126.07 17.76 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.035 2.49 . . . . 0.0 112.131 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.505 ' HB3' HG21 ' A' ' 89' ' ' VAL . . . -164.56 157.13 16.72 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.135 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.447 ' CG2' ' HB ' ' A' ' 38' ' ' VAL . 22.6 m -95.32 136.6 35.47 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.22 174.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.11 124.78 35.59 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 38.2 t -92.74 106.15 17.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.552 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.46 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 23.5 m-85 -117.41 123.21 45.87 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.24 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 33.6 p -144.34 153.8 42.37 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 177.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 64.5 14.48 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.339 0.4 . . . . 0.0 110.852 175.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 69.82 23.54 76.83 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.254 -173.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -138.76 154.78 48.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.95 0.405 . . . . 0.0 110.795 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.46 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 57.7 tp -80.19 122.99 27.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.009 0.433 . . . . 0.0 111.437 -177.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.503 ' HB3' HG22 ' A' ' 123' ' ' ILE . 20.2 mmt180 -89.4 -33.74 16.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.164 175.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 147.89 -159.15 27.94 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.845 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -124.85 163.08 22.96 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.528 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.77 0.319 . . . . 0.0 110.502 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 4.0 tt -59.27 -40.12 85.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.449 -178.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 85.1 mt -57.97 -57.71 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.701 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 45.6 m -64.42 -39.7 94.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.497 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.0 tm? -62.15 -50.65 71.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 110.181 -179.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.506 ' O ' HG22 ' A' ' 124' ' ' VAL . 27.2 ttt -68.77 -38.94 80.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.255 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -60.84 -36.07 78.18 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 122.245 0.218 . . . . 0.0 111.552 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.9 t -59.34 -30.69 68.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.659 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.503 HG22 ' HB3' ' A' ' 104' ' ' ARG . 54.3 mt -86.68 -41.58 14.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.746 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 120' ' ' MET . 35.7 m -97.0 33.4 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.026 0.441 . . . . 0.0 111.114 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.4 t70 . . . . . 0 C--N 1.326 -0.421 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.636 -175.972 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 . . . . . 0 CA--C 1.536 0.419 0 N-CA-C 112.484 0.549 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.484 ' O ' HG22 ' A' ' 16' ' ' THR . 21.2 ptt180 -66.16 -26.65 67.52 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.599 0.238 . . . . 0.0 111.159 -176.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.64 HD11 HG22 ' A' ' 56' ' ' VAL . 4.0 mm? -73.97 -37.96 64.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.066 0.46 . . . . 0.0 110.447 176.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.538 ' HA ' ' HB2' ' A' ' 19' ' ' TRP . 70.7 mt -66.52 -27.16 67.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.698 -175.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 13' ' ' ARG . 4.1 t -59.25 -25.63 64.22 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -173.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -76.78 4.72 9.05 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.715 0.293 . . . . 0.0 111.477 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.58 29.78 8.05 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.48 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.538 ' HB2' ' HA ' ' A' ' 15' ' ' LEU . 36.2 m0 -96.49 131.2 43.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.067 0.461 . . . . 0.0 110.312 -178.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -98.84 121.28 56.54 Favored Pre-proline 0 N--CA 1.445 -0.695 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.76 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.519 ' HD3' HD22 ' A' ' 15' ' ' LEU . 37.3 Cg_endo -68.59 132.88 26.31 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 121.997 1.798 . . . . 0.0 110.155 170.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.4 m -123.92 166.68 18.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.675 0.75 . . . . 0.0 112.675 -174.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.544 ' HB2' HG22 ' A' ' 26' ' ' THR . 52.3 mt-10 -119.69 175.7 5.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.307 -1.315 . . . . 0.0 108.599 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.8 -30.03 66.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.236 0.541 . . . . 0.0 110.391 176.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.3 t -78.29 -53.71 7.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.389 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.544 HG22 ' HB2' ' A' ' 23' ' ' GLU . 14.5 t -79.11 -13.22 59.87 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -172.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.487 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.8 p -62.18 -32.71 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 176.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.3 -47.82 84.4 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.277 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.55 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 12.9 t70 -68.0 -45.33 74.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.868 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.405 ' O ' HG22 ' A' ' 34' ' ' VAL . 78.6 t90 -58.31 -46.2 86.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 27' ' ' VAL . 96.4 mt -57.94 -52.36 59.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.235 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.55 ' HE3' ' HA ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -70.86 -20.64 62.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.963 0.411 . . . . 0.0 111.113 -177.562 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -72.98 -46.43 52.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.154 0.502 . . . . 0.0 110.954 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 30' ' ' TRP . 34.7 m -88.18 -36.79 9.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.089 -177.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.66 -50.26 4.33 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.607 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -124.69 133.78 53.09 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.9 -175.74 42.08 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.198 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.8 m -131.05 139.74 50.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.186 0.517 . . . . 0.0 111.368 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.463 ' HB ' ' HB2' ' A' ' 96' ' ' LEU . 70.4 mt -109.17 123.77 65.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.406 175.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.464 HD11 HG21 ' A' ' 58' ' ' ILE . 76.5 mt -98.42 127.17 44.24 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.413 HD12 ' H ' ' A' ' 94' ' ' ALA . 74.3 mt -77.26 157.01 31.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 174.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.7 t . . . . . 0 C--N 1.321 -0.642 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.327 -174.646 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.64 HG22 HD11 ' A' ' 14' ' ' LEU . 23.9 t . . . . . 0 CA--C 1.528 0.115 0 CA-C-O 121.143 0.497 . . . . 0.0 110.571 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.411 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 26.5 mmt -95.59 11.1 34.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.904 -174.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.464 HG21 HD11 ' A' ' 40' ' ' LEU . 10.8 tt -80.87 -14.05 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.707 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.78 75.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.814 -176.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 57' ' ' MET . 11.4 pt-20 -73.44 -28.05 61.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.179 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.59 HD21 HD22 ' A' ' 116' ' ' LEU . 1.8 tm? -57.3 -45.26 84.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.162 0.506 . . . . 0.0 110.397 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.96 -27.04 60.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.794 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -74.55 -12.35 60.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.066 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -79.9 -19.61 47.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.877 0.37 . . . . 0.0 110.31 -174.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -120.5 70.63 17.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.143 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -81.85 42.94 1.41 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.315 2.01 . . . . 0.0 112.411 -174.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -91.57 -40.61 11.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.332 0.587 . . . . 0.0 109.493 178.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.406 ' HD2' ' CE2' ' A' ' 70' ' ' TRP . 2.2 m-85 -113.48 174.17 6.05 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.28 -179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -97.4 89.56 4.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.163 0.506 . . . . 0.0 109.725 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.406 ' CE2' ' HD2' ' A' ' 68' ' ' PHE . 51.1 m95 -79.75 143.52 34.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.997 -176.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -133.07 155.38 49.33 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.239 172.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.9 t -109.98 127.96 66.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.133 0.492 . . . . 0.0 111.117 -175.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -119.22 141.8 48.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.38 174.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 15.4 m -120.57 135.96 59.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.161 0.505 . . . . 0.0 110.921 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.428 ' HB1' ' HA ' ' A' ' 80' ' ' SER . . . -91.93 128.31 37.72 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.541 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.532 ' HB3' ' OE1' ' A' ' 79' ' ' GLN . 17.0 t70 -64.92 159.05 23.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.003 177.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.515 ' H ' HD12 ' A' ' 77' ' ' LEU . 6.7 mp -51.99 -33.86 40.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.919 0.39 . . . . 0.0 111.722 -176.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -78.03 -52.3 9.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.166 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.537 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 25.0 mp0 -74.93 -24.7 58.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -172.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.428 ' HA ' ' HB1' ' A' ' 75' ' ' ALA . 61.3 p -53.83 -40.02 66.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -62.14 -51.73 66.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.667 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.57 -38.36 87.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.287 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.1 mt -65.75 -52.96 43.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.809 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.13 -31.56 81.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.909 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.48 -41.2 84.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.696 0.284 . . . . 0.0 110.827 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -60.55 -39.82 89.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -83.62 0.53 46.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.469 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 60.57 30.68 19.92 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.119 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.605 HG21 HD11 ' A' ' 96' ' ' LEU . 57.5 t -86.55 -63.61 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.178 175.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.458 ' HG2' ' H ' ' A' ' 91' ' ' ARG . 37.3 ttm180 61.85 179.21 0.12 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.564 176.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.458 ' H ' ' HG2' ' A' ' 90' ' ' ARG . 24.6 mmt180 74.17 -134.61 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.891 0.476 . . . . 0.0 111.626 175.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.533 ' HB3' ' HD2' ' A' ' 93' ' ' PRO . 65.2 m-85 -75.31 161.61 76.2 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.427 -173.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.533 ' HD2' ' HB3' ' A' ' 92' ' ' PHE . 10.3 Cg_endo -53.95 125.72 19.64 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.021 2.481 . . . . 0.0 112.374 178.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.461 ' HB1' ' HB1' ' A' ' 106' ' ' ALA . . . -131.54 134.55 46.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.55 -177.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.4 m -76.57 124.7 28.02 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 172.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.605 HD11 HG21 ' A' ' 89' ' ' VAL . 3.4 mm? -91.15 125.22 35.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.899 0.38 . . . . 0.0 110.25 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 62.7 t -95.4 104.51 15.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.444 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.431 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 21.2 m-85 -109.94 127.39 54.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.472 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.2 p -145.32 136.92 25.3 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.961 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.1 t0 62.57 23.82 14.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.531 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.62 11.96 82.76 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 120.983 -0.627 . . . . 0.0 113.037 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.456 ' HD3' ' N ' ' A' ' 103' ' ' LEU . 1.5 tmtp? -122.17 143.14 49.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.253 0.527 . . . . 0.0 110.392 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.456 ' N ' ' HD3' ' A' ' 102' ' ' LYS . 68.6 tp -82.35 115.04 21.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.383 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -85.4 -26.64 26.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.614 -177.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 157.03 -177.74 33.77 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.05 176.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.461 ' HB1' ' HB1' ' A' ' 94' ' ' ALA . . . -110.68 148.47 32.2 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 178.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 107' ' ' LEU . 1.0 OUTLIER . . . . . 0 C--N 1.32 -0.684 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.4 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 . . . . . 0 CA--C 1.521 -0.135 0 CA-C-O 120.878 0.371 . . . . 0.0 110.605 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.59 HD22 HD21 ' A' ' 61' ' ' LEU . 6.9 tt -52.04 -40.07 60.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.578 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.48 -36.26 75.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.338 -178.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.0 m -85.93 -50.29 7.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.874 0.369 . . . . 0.0 111.135 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.81 -49.66 74.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.893 -175.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 28.3 ttt -76.02 -34.9 59.69 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.467 -173.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.545 ' HA ' HG22 ' A' ' 124' ' ' VAL . 28.7 ttt180 -62.7 -43.53 98.56 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.48 -178.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.3 m -57.14 -30.68 64.63 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.174 0.512 . . . . 0.0 111.2 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 50.4 mm -80.78 -42.05 20.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.01 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.545 HG22 ' HA ' ' A' ' 121' ' ' ARG . 14.8 m -84.27 -12.54 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.659 -175.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--N 1.324 -0.533 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -178.493 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 . . . . . 0 CA--C 1.528 0.121 0 CA-C-O 120.499 0.19 . . . . 0.0 111.509 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.407 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 6.1 tpp180 -62.9 -33.42 75.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.316 -177.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.3 mt -66.07 -39.05 89.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.018 0.437 . . . . 0.0 110.019 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.462 HD22 ' HD3' ' A' ' 21' ' ' PRO . 74.5 mt -68.7 -41.43 79.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.948 177.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.1 m -56.46 -30.67 63.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.345 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.3 ttm-85 -74.73 -11.41 60.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.364 -175.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.74 10.49 10.12 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.471 -0.871 . . . . 0.0 113.12 176.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 48.6 m0 -98.32 138.78 35.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.694 0.283 . . . . 0.0 110.798 179.657 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -108.6 143.33 27.3 Favored Pre-proline 0 N--CA 1.447 -0.584 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.534 177.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.462 ' HD3' HD22 ' A' ' 15' ' ' LEU . 62.9 Cg_endo -77.58 128.01 9.21 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.587 2.191 . . . . 0.0 112.673 178.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.0 m -111.81 167.47 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.096 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.507 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 39.4 mt-10 -137.34 166.57 23.48 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -176.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.69 -20.3 61.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.318 0.58 . . . . 0.0 109.559 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.5 t -66.38 -35.73 81.06 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.23 178.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.2 t -128.53 12.08 6.36 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -173.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.507 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 14.7 p -68.03 -34.16 65.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 O-C-N 122.294 -0.254 . . . . 0.0 111.141 -177.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.38 -48.24 82.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.092 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.3 -46.35 90.18 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.676 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.504 ' O ' HG22 ' A' ' 34' ' ' VAL . 61.5 t90 -55.26 -47.0 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.954 -178.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 27' ' ' VAL . 86.6 mt -58.43 -45.82 89.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.965 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -68.65 -36.59 78.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.542 0.687 . . . . 0.0 111.09 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -67.12 -45.74 76.23 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.268 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 30' ' ' TRP . 18.6 m -89.8 -37.1 9.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.213 -177.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.16 -53.89 4.91 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 121.078 -0.582 . . . . 0.0 111.816 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -124.4 133.03 53.52 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -177.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.56 -179.84 42.37 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.346 -0.93 . . . . 0.0 112.621 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.415 HG21 ' HG ' ' A' ' 62' ' ' LEU . 15.3 m -133.93 136.66 53.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.04 0.448 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.43 ' HB ' ' HB2' ' A' ' 96' ' ' LEU . 3.9 mp -105.22 119.04 53.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.452 177.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.627 HD11 HG21 ' A' ' 58' ' ' ILE . 82.3 mt -83.53 124.84 31.15 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 176.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.438 ' HB3' ' H ' ' A' ' 42' ' ' SER . 47.6 mt -75.32 -164.81 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.946 178.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.528 ' HB3' ' HB3' ' A' ' 80' ' ' SER . 81.2 p . . . . . 0 C--N 1.327 -0.376 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.989 -173.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.495 HG23 ' HG3' ' A' ' 57' ' ' MET . 28.2 m . . . . . 0 CA--C 1.534 0.353 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.495 ' HG3' HG23 ' A' ' 56' ' ' VAL . 64.4 mtt -113.0 7.74 18.22 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -177.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.627 HG21 HD11 ' A' ' 40' ' ' LEU . 8.2 tp -81.79 -20.68 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.995 0.426 . . . . 0.0 110.509 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.07 -52.78 53.75 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.36 -176.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -60.76 -29.92 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.159 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.682 HD11 HD22 ' A' ' 116' ' ' LEU . 5.7 tt -70.99 -56.91 5.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.461 0.648 . . . . 0.0 110.18 178.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -64.2 -22.5 66.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.051 -171.782 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -85.94 9.3 17.33 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.52 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -87.22 -2.86 58.93 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.281 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -105.91 91.1 4.96 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.145 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.52 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 83.8 Cg_endo -85.36 2.45 7.78 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.635 2.223 . . . . 0.0 112.892 -176.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -58.66 -73.58 0.08 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.026 0.441 . . . . 0.0 110.917 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.422 ' HE2' ' CZ2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -100.85 177.43 4.97 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.403 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -100.19 102.9 14.32 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.422 ' CZ2' ' HE2' ' A' ' 68' ' ' PHE . 51.4 m95 -81.65 148.34 29.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.198 -175.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.463 ' HG3' ' HB ' ' A' ' 34' ' ' VAL . 45.2 mm-40 -117.17 134.26 54.99 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.078 176.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.3 t -109.7 122.8 64.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -132.61 158.43 42.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.756 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.6 m -118.81 154.92 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.783 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.429 ' CB ' HD12 ' A' ' 83' ' ' ILE . . . -85.85 19.3 2.58 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -173.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.497 ' HB3' ' OE1' ' A' ' 79' ' ' GLN . 36.3 t0 64.16 -93.45 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.222 0.609 . . . . 0.0 110.989 178.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.592 ' HG ' ' N ' ' A' ' 78' ' ' GLU . 2.5 pt? -154.03 -64.27 0.14 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 122.022 -0.424 . . . . 0.0 111.707 175.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.592 ' N ' ' HG ' ' A' ' 77' ' ' LEU . 25.9 tt0 -76.68 -35.29 58.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.792 0.806 . . . . 0.0 110.151 -174.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.497 ' OE1' ' HB3' ' A' ' 76' ' ' ASP . 21.0 mp0 -63.54 -24.32 67.76 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.312 -176.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.528 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 15.2 m -49.62 -48.01 49.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.572 -178.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -68.52 -39.75 81.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.016 0.436 . . . . 0.0 110.178 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.17 -33.94 76.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.414 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 79' ' ' GLN . 46.0 mt -65.68 -45.75 91.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.652 0.263 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.97 -33.89 88.43 Favored Glycine 0 CA--C 1.518 0.221 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.619 177.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -69.39 -42.23 75.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.898 0.38 . . . . 0.0 110.548 177.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -54.51 -43.33 71.76 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.572 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -93.2 -2.59 55.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.819 -177.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 56.21 40.74 29.94 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.193 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.485 ' O ' ' HB2' ' A' ' 90' ' ' ARG . 9.5 p -95.57 11.97 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.281 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 89' ' ' VAL . 65.8 mtp180 77.49 -178.95 0.13 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.758 -176.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.89 90.79 3.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.082 -174.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -163.73 159.67 17.32 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.97 175.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.42 122.29 11.08 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.574 2.182 . . . . 0.0 112.241 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -156.48 169.06 25.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.306 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.718 ' HB ' HD23 ' A' ' 107' ' ' LEU . 29.9 m -115.8 130.8 56.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.519 174.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.43 ' HB2' ' HB ' ' A' ' 39' ' ' ILE . 3.5 mm? -90.97 126.06 35.97 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.964 -0.295 . . . . 0.0 110.311 -177.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.8 t -97.56 111.0 26.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.471 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -118.63 124.73 48.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.136 0.493 . . . . 0.0 111.486 178.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 41.6 p -140.94 136.35 32.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.773 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 62.99 19.71 11.81 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.39 0.431 . . . . 0.0 110.935 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 70.89 20.97 78.06 Favored Glycine 0 CA--C 1.522 0.524 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.284 -173.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -115.6 146.33 41.87 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 63.7 tp -85.84 109.28 18.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.408 ' HB3' HG22 ' A' ' 123' ' ' ILE . 19.1 mmm180 -83.9 -28.93 27.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.076 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 154.76 -160.69 29.81 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.734 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.477 ' HA ' ' O ' ' A' ' 95' ' ' THR . . . -141.87 151.92 43.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.805 0.336 . . . . 0.0 110.992 -178.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.718 HD23 ' HB ' ' A' ' 95' ' ' THR . 3.5 mm? . . . . . 0 C--N 1.323 -0.58 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.432 179.518 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 . . . . . 0 N--CA 1.463 0.207 0 CA-C-O 121.225 0.536 . . . . 0.0 111.213 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.682 HD22 HD11 ' A' ' 61' ' ' LEU . 9.7 tt -53.62 -45.35 70.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.46 -178.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.1 -37.15 71.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.153 -173.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.6 m -82.82 -50.76 8.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.644 0.259 . . . . 0.0 110.968 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.472 ' O ' HG13 ' A' ' 123' ' ' ILE . 3.7 mm? -59.91 -40.32 88.43 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.535 -177.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.531 ' O ' HG22 ' A' ' 124' ' ' VAL . 15.2 tpt -57.51 -38.11 74.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.835 0.35 . . . . 0.0 110.609 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 40.7 mtt85 -66.63 -40.13 88.59 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.339 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.9 m -67.42 -34.43 77.21 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-O 121.043 0.449 . . . . 0.0 111.111 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 119' ' ' LEU . 70.8 mt -68.72 -43.18 83.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 120' ' ' MET . 33.3 m -94.88 19.94 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.413 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.3 t70 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.269 179.833 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 . . . . . 0 C--O 1.233 0.22 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.527 ' HG3' HD22 ' A' ' 14' ' ' LEU . 19.2 ptt180 -62.99 -31.57 72.72 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.552 -176.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.527 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.8 mm? -70.13 -40.67 74.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.789 0.328 . . . . 0.0 110.461 176.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.03 -33.3 75.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.158 0.504 . . . . 0.0 110.129 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.7 m -62.54 -25.85 68.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.29 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -71.83 -6.94 45.27 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.994 0.426 . . . . 0.0 110.741 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.6 25.03 3.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.772 . . . . 0.0 113.038 173.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.403 ' CE3' HG11 ' A' ' 74' ' ' VAL . 39.3 m0 -100.65 144.36 29.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.013 0.435 . . . . 0.0 110.902 -178.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -109.4 125.1 32.13 Favored Pre-proline 0 N--CA 1.447 -0.615 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.005 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -77.01 115.6 4.04 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.227 1.951 . . . . 0.0 111.253 173.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.0 m -112.21 153.98 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.958 0.408 . . . . 0.0 111.44 -175.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.464 ' H ' ' HB ' ' A' ' 26' ' ' THR . 41.3 mt-10 -101.06 -174.61 2.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.785 -177.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.17 -48.21 71.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.925 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.3 p -89.35 -35.93 15.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.994 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.464 ' HB ' ' H ' ' A' ' 23' ' ' GLU . 10.9 m -64.74 -26.96 68.58 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.664 -177.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 31' ' ' ILE . 8.3 p -68.78 -29.79 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.765 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -65.03 -37.32 87.22 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.149 0.5 . . . . 0.0 110.233 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -72.95 -38.77 66.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.949 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.432 ' O ' HG22 ' A' ' 34' ' ' VAL . 84.1 t90 -58.71 -45.41 89.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.264 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 27' ' ' VAL . 90.4 mt -60.1 -45.8 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.094 178.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -27.95 67.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.823 0.344 . . . . 0.0 110.801 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -72.75 -47.26 48.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.565 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 30' ' ' TRP . 28.3 m -94.39 -38.79 9.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.404 -173.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.44 -52.33 4.65 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.806 -0.712 . . . . 0.0 111.954 -175.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -116.55 128.68 55.65 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.95 173.67 41.83 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 119.869 -1.157 . . . . 0.0 112.584 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.3 m -130.87 134.0 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.01 0.433 . . . . 0.0 110.812 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.04 127.63 64.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.534 ' HB2' HG12 ' A' ' 74' ' ' VAL . 66.5 mt -91.79 133.97 35.16 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 176.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 60.6 mt -82.27 173.88 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.821 0.344 . . . . 0.0 110.383 176.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t . . . . . 0 C--N 1.32 -0.695 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.622 -177.341 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 85.0 t . . . . . 0 N--CA 1.466 0.351 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.47 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 27.2 ttt -61.06 -28.31 68.98 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.742 0.306 . . . . 0.0 111.777 -175.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.0 tp -62.62 -18.24 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 121.125 0.488 . . . . 0.0 111.591 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.1 97.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.766 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 57' ' ' MET . 10.6 pt-20 -72.01 -28.24 63.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.809 0.338 . . . . 0.0 110.706 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.26 -54.1 34.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 174.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.7 tt -51.86 -45.43 64.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.596 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -69.19 -7.98 41.45 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.78 -20.61 45.85 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -128.2 54.73 14.2 Favored Pre-proline 0 CA--C 1.531 0.24 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.099 -175.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -81.89 43.3 1.49 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.15 1.9 . . . . 0.0 112.397 -173.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -88.44 -45.2 10.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.166 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.536 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 6.0 m-85 -100.22 171.1 8.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.679 -177.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -88.24 75.08 8.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.352 0.596 . . . . 0.0 109.422 177.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.536 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 90.5 m95 -68.7 145.94 53.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.43 -175.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -137.59 145.58 42.98 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.494 175.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.0 t -103.96 127.8 57.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.186 0.517 . . . . 0.0 111.433 -174.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.26 148.09 45.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.915 175.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.534 HG12 ' HB2' ' A' ' 40' ' ' LEU . 28.9 m -132.89 171.09 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.749 0.309 . . . . 0.0 110.954 -177.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.608 ' HB1' ' HG3' ' A' ' 79' ' ' GLN . . . -145.89 150.16 35.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.008 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.417 ' C ' HD12 ' A' ' 77' ' ' LEU . 1.2 p30 -86.92 -87.02 0.15 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -177.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.417 HD12 ' C ' ' A' ' 76' ' ' ASP . 7.6 mp -125.48 -76.45 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.929 -0.482 . . . . 0.0 112.026 -174.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -56.02 -54.03 49.79 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.397 0.618 . . . . 0.0 111.091 -175.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.608 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 2.5 pt20 -56.75 -42.19 78.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.479 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.8 m -53.53 -44.79 69.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.738 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -66.07 -46.9 76.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.663 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.28 92.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.024 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.15 -51.09 77.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.445 176.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.34 -44.96 97.39 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.76 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -56.89 -45.23 82.73 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.747 0.308 . . . . 0.0 110.979 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -62.1 -40.83 97.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.041 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -82.62 0.14 44.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.906 0.384 . . . . 0.0 110.422 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.462 HD22 ' N ' ' A' ' 88' ' ' ASN . 0.9 OUTLIER 70.94 21.62 4.92 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.253 176.505 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 62.7 t -128.14 100.52 6.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.096 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.41 ' HD3' ' N ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -127.43 24.79 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.107 0.479 . . . . 0.0 110.501 -178.148 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -135.67 133.02 37.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.058 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 74.09 141.92 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.409 0 O-C-N 124.233 0.958 . . . . 0.0 111.081 -178.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -67.43 114.65 3.34 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.069 1.846 . . . . 0.0 109.737 171.177 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -142.99 139.67 30.72 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.191 0.519 . . . . 0.0 111.532 -172.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.685 ' HB ' HD23 ' A' ' 107' ' ' LEU . 10.7 m -78.98 133.54 36.85 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.961 173.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -91.91 128.34 37.72 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 22.1 t -104.45 114.22 43.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.391 -174.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -118.19 139.34 51.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.928 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.3 142.72 24.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.456 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.4 t70 63.49 14.61 8.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.511 0.672 . . . . 0.0 111.179 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.72 5.38 89.9 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.175 -176.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -120.2 161.29 21.31 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.789 0.328 . . . . 0.0 110.576 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.5 tp -76.34 139.1 40.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.072 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -120.87 -37.24 3.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.28 178.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 171.28 -162.04 34.66 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.18 -1.009 . . . . 0.0 112.417 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -153.63 166.81 31.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.951 0.405 . . . . 0.0 110.781 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.685 HD23 ' HB ' ' A' ' 95' ' ' THR . 3.8 mm? . . . . . 0 C--N 1.324 -0.512 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.296 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 . . . . . 0 CA--C 1.52 -0.197 0 CA-C-O 120.972 0.415 . . . . 0.0 110.383 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.0 tt -57.98 -48.14 80.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.691 176.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 69.4 mt -58.05 -46.69 84.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.473 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 59.4 m -61.09 -51.48 68.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.313 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.437 ' O ' HG13 ' A' ' 123' ' ' ILE . 97.2 mt -64.47 -47.09 80.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.717 0.294 . . . . 0.0 111.05 -178.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 14.8 tpt -63.47 -40.86 98.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.378 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.642 ' HA ' HG22 ' A' ' 124' ' ' VAL . 41.8 mtt180 -65.5 -36.67 84.54 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 177.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 25.0 t -60.66 -38.69 85.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.03 174.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 119' ' ' LEU . 84.0 mt -68.14 -47.88 76.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.187 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.642 HG22 ' HA ' ' A' ' 121' ' ' ARG . 26.1 m -77.79 4.2 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -175.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.5 t70 . . . . . 0 N--CA 1.463 0.184 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.687 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 . . . . . 0 CA--C 1.536 0.42 0 N-CA-C 113.177 0.806 . . . . 0.0 113.177 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.7 ' HG3' HD22 ' A' ' 14' ' ' LEU . 8.3 ptp180 -62.93 -29.29 70.68 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.574 -177.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.7 HD22 ' HG3' ' A' ' 13' ' ' ARG . 2.8 mm? -72.43 -31.09 65.19 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.108 0.48 . . . . 0.0 109.919 178.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.6 mt -66.15 -38.59 88.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.568 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.9 m -67.41 -27.12 66.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.952 177.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -76.39 -14.97 60.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.245 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.31 26.01 6.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.67 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -99.89 130.73 46.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.744 0.307 . . . . 0.0 110.424 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -101.42 122.58 47.55 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.621 -177.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 4.2 Cg_exo -75.33 114.64 4.04 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.871 2.381 . . . . 0.0 111.249 173.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.2 m -116.75 175.36 3.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.235 0.541 . . . . 0.0 112.143 -174.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.517 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 38.2 mt-10 -110.78 167.48 10.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.201 178.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.47 -21.39 64.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.349 0.595 . . . . 0.0 110.572 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.7 p -80.79 -62.22 1.73 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.999 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.5 t -73.09 -17.37 61.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.324 -172.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' ' 31' ' ' ILE . 9.1 p -62.4 -31.29 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.81 0.338 . . . . 0.0 110.251 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -61.0 -49.13 78.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.416 0.627 . . . . 0.0 110.215 177.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -70.96 -35.88 72.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.435 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.459 ' O ' HG22 ' A' ' 34' ' ' VAL . 85.6 t90 -59.06 -49.92 76.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.68 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 27' ' ' VAL . 94.8 mt -60.62 -39.58 81.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.077 0.465 . . . . 0.0 110.681 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -71.06 -23.74 62.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.934 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.42 ' O ' ' HD3' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -77.15 -44.27 30.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.901 -179.667 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 30' ' ' TRP . 26.1 m -85.87 -45.0 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.783 -177.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.95 -18.36 27.2 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.728 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.502 ' OD2' ' HB2' ' A' ' 68' ' ' PHE . 28.0 t0 -142.13 155.93 45.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -176.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.529 ' HA2' ' HB3' ' A' ' 70' ' ' TRP . . . 129.53 -176.09 18.7 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 119.957 -1.116 . . . . 0.0 113.778 172.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.0 m -130.6 144.35 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.011 0.434 . . . . 0.0 111.108 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.565 HG13 ' HB3' ' A' ' 73' ' ' ALA . 2.6 mp -110.88 132.01 60.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.728 177.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.531 ' HB2' HG12 ' A' ' 74' ' ' VAL . 87.3 mt -108.4 134.17 51.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.861 0.363 . . . . 0.0 110.898 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.1 mt -93.73 153.68 18.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.333 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.9 t . . . . . 0 C--N 1.324 -0.51 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.155 179.696 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.429 ' C ' ' H ' ' A' ' 58' ' ' ILE . 26.9 m . . . . . 0 N--CA 1.452 -0.373 0 N-CA-C 109.858 -0.423 . . . . 0.0 109.858 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 65.2 mtm 71.38 -20.74 0.22 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.312 0.645 . . . . 0.0 112.097 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.449 HD11 HG21 ' A' ' 95' ' ' THR . 8.7 tp -74.08 -30.87 28.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.262 -177.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.36 -45.84 36.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.974 0.416 . . . . 0.0 111.053 -176.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.672 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 1.7 pm0 -65.81 -28.15 68.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.135 177.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.582 HD11 HD21 ' A' ' 116' ' ' LEU . 1.6 tt -52.46 -47.51 66.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.444 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' A' ' 62' ' ' LEU . 2.7 mm? -61.28 -22.12 64.57 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -173.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.672 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 5.1 ptp180 -76.26 -2.94 33.87 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.366 -0.534 . . . . 0.0 111.094 -176.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -78.94 -10.56 59.85 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.135 0.493 . . . . 0.0 109.821 174.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -117.72 76.44 10.55 Favored Pre-proline 0 N--CA 1.452 -0.366 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.44 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -77.49 43.85 1.41 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.124 2.549 . . . . 0.0 112.457 -174.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -105.68 -67.5 0.92 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.962 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.502 ' HB2' ' OD2' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -95.49 176.81 6.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.937 -177.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -112.71 90.12 3.26 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 175.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.529 ' HB3' ' HA2' ' A' ' 37' ' ' GLY . 10.4 m95 -72.5 139.65 47.75 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.979 -173.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -101.39 166.91 10.5 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.1 t -129.09 125.39 62.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.979 0.419 . . . . 0.0 110.401 177.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.565 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -117.13 144.0 45.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.147 177.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.531 HG12 ' HB2' ' A' ' 40' ' ' LEU . 18.3 m -125.23 155.41 34.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.384 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.69 156.12 19.43 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.685 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -68.14 -105.34 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.674 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.1 mp -124.37 -66.95 0.95 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -59.15 -41.46 88.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.556 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.517 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 18.4 mp0 -54.3 -37.02 64.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.719 -179.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.5 m -64.16 -38.17 90.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.9 0.381 . . . . 0.0 110.701 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -74.23 -40.3 62.5 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.56 96.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.08 177.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 79' ' ' GLN . 67.5 mt -61.57 -47.38 93.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.179 175.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.82 -42.1 94.4 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.71 176.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -57.83 -45.44 86.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.963 0.411 . . . . 0.0 111.025 177.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -60.64 -36.11 77.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.881 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -106.24 5.32 29.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.724 0.297 . . . . 0.0 111.232 -175.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 62.17 34.38 16.23 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.329 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 44.0 t -93.91 143.66 11.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.042 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -69.08 160.88 30.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.626 0.25 . . . . 0.0 110.608 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.3 mtp-105 -74.43 78.29 1.9 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.515 179.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -147.3 160.84 38.35 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.569 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -62.31 114.63 2.43 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.846 1.697 . . . . 0.0 110.922 172.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -141.26 147.26 37.94 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.497 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.591 ' HB ' ' HB2' ' A' ' 107' ' ' LEU . 24.7 m -106.19 120.72 42.56 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.85 176.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -93.11 124.8 37.34 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.531 HG11 HG12 ' A' ' 124' ' ' VAL . 60.4 t -96.72 119.74 45.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.114 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.406 ' CD2' HD13 ' A' ' 39' ' ' ILE . 23.2 m-85 -122.14 125.82 47.0 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -176.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.412 HG22 ' OD1' ' A' ' 36' ' ' ASP . 70.6 p -145.43 147.86 32.68 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 174.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 36.9 t70 65.61 19.26 11.44 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.84 0.829 . . . . 0.0 109.381 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 70.68 6.54 59.35 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.349 -174.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -115.05 158.16 22.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.077 0.465 . . . . 0.0 111.116 -176.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.7 tp -81.96 127.83 33.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.337 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.573 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 8.9 mmp_? -89.69 -42.71 11.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.144 177.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 173.99 170.83 37.8 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.741 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -112.96 140.26 47.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.788 0.327 . . . . 0.0 110.508 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.591 ' HB2' ' HB ' ' A' ' 95' ' ' THR . 4.2 mm? . . . . . 0 C--N 1.323 -0.587 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.506 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 . . . . . 0 CA--C 1.52 -0.178 0 CA-C-O 121.099 0.476 . . . . 0.0 109.839 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.582 HD21 HD11 ' A' ' 61' ' ' LEU . 10.0 tt -54.8 -47.86 73.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.191 175.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.21 -51.55 68.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.589 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.1 m -53.65 -47.73 70.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.312 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 119' ' ' LEU . 4.4 mm? -72.45 -49.79 30.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.718 -178.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.43 ' O ' HG22 ' A' ' 124' ' ' VAL . 66.7 mtp -63.59 -27.67 69.41 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -62.73 -39.07 92.96 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.891 0.377 . . . . 0.0 110.487 175.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.4 t -72.91 -30.26 63.77 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.974 177.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.431 ' O ' ' HB3' ' A' ' 104' ' ' ARG . 46.9 mm -68.57 -47.59 76.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.705 176.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.531 HG12 HG11 ' A' ' 97' ' ' VAL . 18.8 m -88.36 17.28 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.969 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.4 t70 . . . . . 0 N--CA 1.464 0.271 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.547 -178.668 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 33.6 tt0 . . . . . 0 CA--C 1.533 0.304 0 N-CA-C 112.314 0.487 . . . . 0.0 112.314 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 40.6 ptt180 -56.66 -33.94 66.86 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 122.446 -0.159 . . . . 0.0 110.968 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -75.23 -44.0 48.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.145 0.498 . . . . 0.0 109.781 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 56.8 mt -59.78 -37.85 80.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.737 -179.343 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -60.94 -29.54 69.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.945 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -80.16 -0.6 36.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.675 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.41 1.26 55.6 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 31.7 m0 -67.05 131.53 46.03 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.449 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 6.1 tp-100 -103.77 123.06 42.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.946 -171.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 7.2 Cg_exo -73.28 126.75 11.31 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.897 2.398 . . . . 0.0 111.707 176.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.95 163.56 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.55 -177.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.555 ' HB2' HG22 ' A' ' 26' ' ' THR . 45.9 mt-10 -112.86 164.4 13.46 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.22 -27.65 65.66 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.096 0.474 . . . . 0.0 111.019 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 p -82.62 -16.51 48.13 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.371 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.555 HG22 ' HB2' ' A' ' 23' ' ' GLU . 12.6 t -129.73 0.73 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -176.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.457 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.6 p -64.85 -44.81 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 121.322 -0.151 . . . . 0.0 111.161 -176.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.487 ' HA ' HD12 ' A' ' 31' ' ' ILE . 4.7 p-10 -64.2 -32.43 74.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.845 0.355 . . . . 0.0 110.898 -177.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.2 -41.33 86.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.372 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -67.03 -40.52 87.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.763 176.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 28' ' ' ASP . 96.1 mt -59.43 -51.63 70.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.496 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -19.93 64.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 111.134 -178.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 -74.12 -46.17 44.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.158 0.504 . . . . 0.0 110.931 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.7 m -87.93 -35.02 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.884 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.41 -61.21 1.51 Allowed Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.147 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -120.66 131.75 54.74 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.767 0.318 . . . . 0.0 110.402 -174.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.86 179.6 45.54 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.914 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.6 m -130.23 134.86 61.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.189 0.519 . . . . 0.0 111.421 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.546 HG13 ' HB3' ' A' ' 73' ' ' ALA . 2.1 mp -109.06 127.84 65.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.724 177.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.409 HD11 HG21 ' A' ' 58' ' ' ILE . 95.0 mt -104.29 129.95 52.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.912 0.387 . . . . 0.0 110.625 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.8 mt -89.55 168.57 12.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.69 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.3 t . . . . . 0 C--O 1.235 0.316 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.331 175.602 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.6 m . . . . . 0 C--O 1.233 0.225 0 CA-C-O 122.412 1.101 . . . . 0.0 110.533 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.419 ' H ' ' H ' ' A' ' 58' ' ' ILE . 25.8 ptt? 174.94 -0.4 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 113.617 -1.629 . . . . 0.0 108.706 -178.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.419 ' H ' ' H ' ' A' ' 57' ' ' MET . 9.8 tp -72.56 -19.66 19.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.022 -174.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.63 -42.1 91.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.055 -176.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.431 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 10.1 pt-20 -73.1 -27.59 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 111.185 -177.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.568 HD21 HD22 ' A' ' 116' ' ' LEU . 2.4 tm? -59.59 -56.59 19.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.572 177.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.432 ' HA ' HD13 ' A' ' 62' ' ' LEU . 3.6 mm? -66.1 -21.16 66.34 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -173.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.431 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 8.6 ptp180 -83.1 9.28 10.74 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.92 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -84.21 -5.3 59.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.3 0.571 . . . . 0.0 109.475 170.839 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -117.51 79.83 12.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.515 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.29 43.84 1.57 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.011 2.474 . . . . 0.0 113.312 -172.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -103.82 -43.56 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.223 0.535 . . . . 0.0 110.211 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -117.46 161.89 18.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.817 -176.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -95.71 92.92 6.81 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 171.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -71.1 143.1 50.74 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.316 -172.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -123.34 145.15 48.97 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.98 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.1 t -107.98 123.72 63.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.969 0.414 . . . . 0.0 110.734 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.546 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -117.57 147.17 43.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.241 177.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.8 m -119.67 143.05 32.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.038 0.447 . . . . 0.0 110.759 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.487 ' O ' ' HB2' ' A' ' 79' ' ' GLN . . . -95.43 36.36 1.26 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.192 -178.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 28.6 t70 53.22 -106.27 0.29 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.759 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 98.2 mt -149.41 -56.53 0.19 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 176.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.52 -34.34 72.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.303 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' A' ' 75' ' ' ALA . 9.6 mm100 -67.02 -29.39 69.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.648 -178.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 44.9 m -58.87 -38.04 77.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.05 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.26 -49.28 74.65 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.325 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.38 -43.78 84.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.394 -178.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.413 HD12 ' CB ' ' A' ' 75' ' ' ALA . 54.3 mt -68.11 -39.24 81.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.399 -177.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.67 -37.24 92.03 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.997 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -77.36 -41.69 39.33 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.956 0.408 . . . . 0.0 110.315 176.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -53.57 -41.67 66.77 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.42 -177.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -107.66 6.75 28.07 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.591 -177.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 61.15 43.55 10.99 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.12 0.486 . . . . 0.0 111.056 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.4 HG12 ' O ' ' A' ' 89' ' ' VAL . 15.8 t -93.08 -0.19 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.193 -177.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.65 ' HA ' ' HE ' ' A' ' 90' ' ' ARG . 6.1 mmp_? 70.54 -176.64 0.2 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.648 -173.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 91' ' ' ARG . 42.8 ttm180 -105.8 65.98 0.72 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.36 0.6 . . . . 0.0 110.036 178.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -138.15 138.45 23.14 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.89 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 13.9 Cg_endo -59.67 114.87 2.25 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.392 2.061 . . . . 0.0 111.998 177.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -151.76 147.88 27.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.477 -177.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.0 m -81.72 128.06 33.58 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.661 176.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.12 124.42 35.33 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.858 178.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 47.5 t -96.83 104.12 15.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.165 -177.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.526 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 41.7 m-85 -106.65 133.78 50.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.59 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.01 145.8 25.09 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.43 -175.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 p30 56.15 15.07 1.7 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.743 0.817 . . . . 0.0 112.141 -177.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.43 -10.3 71.23 Favored Glycine 0 N--CA 1.442 -0.95 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.313 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -116.21 168.93 9.68 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.544 -178.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.526 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 61.5 tp -89.89 134.45 34.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.729 -178.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.439 ' HD3' ' HA ' ' A' ' 104' ' ' ARG . 27.4 mmt180 -103.55 -24.79 13.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.271 177.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 155.09 178.36 29.28 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.447 176.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -105.06 148.5 26.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.323 -0.571 0 CA-C-O 121.257 0.551 . . . . 0.0 111.681 -176.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 . . . . . 0 N--CA 1.467 0.404 0 N-CA-C 112.381 0.511 . . . . 0.0 112.381 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.568 HD22 HD21 ' A' ' 61' ' ' LEU . 10.5 tt -55.19 -39.48 69.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.402 -177.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -58.85 -48.95 79.57 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.294 -177.261 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.5 m -60.51 -46.82 88.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.018 0.437 . . . . 0.0 111.08 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 119' ' ' LEU . 4.2 mm? -70.08 -49.51 50.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.793 -175.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.483 ' SD ' HD21 ' A' ' 116' ' ' LEU . 58.0 mtp -70.71 -27.56 64.07 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -176.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -65.11 -35.8 82.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.017 0.437 . . . . 0.0 111.256 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 t -66.54 -29.56 69.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.607 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.73 -38.41 78.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.968 -176.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 33.4 m -78.54 31.05 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -173.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 C--N 1.326 -0.449 0 CA-C-O 121.304 0.573 . . . . 0.0 110.127 175.969 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 . . . . . 0 CA--C 1.531 0.24 0 N-CA-C 111.572 0.212 . . . . 0.0 111.572 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 mmm180 -65.52 -30.09 70.81 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.995 0.426 . . . . 0.0 110.56 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.3 mt -72.31 -45.59 59.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.282 178.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.409 HD22 ' HG3' ' A' ' 21' ' ' PRO . 82.5 mt -60.64 -42.16 96.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.603 178.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.2 m -60.22 -25.28 65.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.097 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 ttm-85 -79.94 8.61 6.64 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.102 0.477 . . . . 0.0 110.885 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.24 22.35 25.06 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.108 173.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 45.0 m0 -100.83 131.87 46.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.965 0.412 . . . . 0.0 110.967 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.508 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 28.0 mp0 -91.57 133.67 30.72 Favored Pre-proline 0 N--CA 1.446 -0.655 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.902 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 6.3 Cg_exo -78.85 121.92 5.2 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 123.029 2.486 . . . . 0.0 111.562 175.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.7 m -111.35 155.98 12.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.102 0.477 . . . . 0.0 111.698 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -104.94 166.43 10.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.931 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.448 ' HA ' HG12 ' A' ' 83' ' ' ILE . . . -59.36 -42.34 91.34 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -176.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 p -90.17 -38.43 13.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.971 0.415 . . . . 0.0 111.49 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 m -72.26 -23.66 61.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.01 -174.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.541 ' O ' HG13 ' A' ' 31' ' ' ILE . 13.6 p -62.01 -31.89 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.423 0.154 . . . . 0.0 110.822 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.55 -51.54 69.42 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.188 0.518 . . . . 0.0 111.106 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.627 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 25.6 t70 -74.17 -28.26 61.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.126 0.489 . . . . 0.0 110.641 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -59.17 -43.05 92.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 172.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 27' ' ' VAL . 75.8 mt -59.05 -40.26 80.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.255 176.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.627 ' HB3' ' O ' ' A' ' 29' ' ' ASP . 1.4 tmmm? -51.67 -40.29 59.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.382 174.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -78.1 -46.48 20.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.407 -172.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.2 m -80.69 -40.74 19.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.97 -175.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.94 -51.38 4.07 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 111.657 -0.577 . . . . 0.0 111.657 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -123.56 147.04 47.66 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.1 -174.75 32.53 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.411 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 19.1 m -137.76 142.16 37.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.183 0.516 . . . . 0.0 111.372 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.56 HG13 ' HB3' ' A' ' 73' ' ' ALA . 3.5 mp -113.47 122.27 67.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.225 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.559 ' HB2' HG12 ' A' ' 74' ' ' VAL . 78.4 mt -87.43 119.38 27.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.1 mt -74.57 152.43 39.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.418 0.628 . . . . 0.0 110.987 177.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.55 ' HB2' ' CB ' ' A' ' 80' ' ' SER . 7.0 m . . . . . 0 C--N 1.312 -1.025 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.758 -176.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.2 t . . . . . 0 C--O 1.233 0.232 0 CA-C-O 121.222 0.534 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.9 ttt -75.23 -2.84 29.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.511 -174.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.446 HG12 HD21 ' A' ' 40' ' ' LEU . 11.3 tp -69.84 -29.15 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.53 -32.41 72.34 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.964 176.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.01 -37.6 85.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.006 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.696 HD21 HD22 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -67.12 -45.35 77.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.229 179.794 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.68 -39.86 88.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.606 -176.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -74.69 -2.81 27.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.718 0.294 . . . . 0.0 111.435 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.45 ' C ' ' HD3' ' A' ' 66' ' ' PRO . 57.1 mm-40 -91.35 -7.05 52.0 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 175.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -122.42 70.36 34.14 Favored Pre-proline 0 C--O 1.235 0.295 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.446 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.45 ' HD3' ' C ' ' A' ' 64' ' ' GLU . 3.2 Cg_exo -80.96 54.27 5.17 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 123.391 2.727 . . . . 0.0 112.101 -175.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -117.63 -36.69 3.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.627 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 5.6 m-85 -106.9 161.54 14.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.144 -178.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -90.68 89.68 7.62 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.627 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 77.3 m95 -80.32 132.51 35.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.653 0.74 . . . . 0.0 112.29 -172.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -115.26 140.62 48.94 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.406 -1.27 . . . . 0.0 108.962 172.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.9 t -107.62 114.05 45.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.136 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.56 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -115.36 146.16 41.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.616 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.559 HG12 ' HB2' ' A' ' 40' ' ' LEU . 20.9 m -134.67 167.38 26.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.659 -178.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.38 166.16 20.08 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.527 ' CG ' ' H ' ' A' ' 77' ' ' LEU . 5.2 p-10 -70.64 -93.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -177.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.527 ' H ' ' CG ' ' A' ' 76' ' ' ASP . 98.1 mt -144.78 -44.44 0.24 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -78.02 -53.68 7.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.847 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.459 ' O ' HG13 ' A' ' 83' ' ' ILE . 1.7 mp0 -60.63 -28.76 68.8 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.616 178.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.55 ' CB ' ' HB2' ' A' ' 42' ' ' SER . 3.6 m -56.24 -45.28 80.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.618 178.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -65.7 -40.21 92.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.071 -178.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.72 -36.65 84.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.857 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 79' ' ' GLN . 69.6 mt -65.24 -46.76 89.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-O 120.937 0.399 . . . . 0.0 110.515 177.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.3 -37.23 93.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.983 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.71 -48.08 83.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.899 0.38 . . . . 0.0 111.012 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 -60.48 -38.14 83.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.718 -0.673 . . . . 0.0 112.102 -175.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -97.15 -1.38 45.23 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.24 -176.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 12.2 m120 61.91 64.17 1.04 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.504 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.4 p -67.16 159.46 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.573 173.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.422 ' H ' ' HD2' ' A' ' 90' ' ' ARG . 4.0 mpt_? -67.37 -67.55 0.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.087 -178.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -164.68 -43.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.953 0.406 . . . . 0.0 111.381 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -101.48 157.93 32.73 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.405 -176.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -49.53 128.23 20.27 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.988 2.459 . . . . 0.0 112.444 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -138.15 161.98 35.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.493 -176.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.491 HG23 HD23 ' A' ' 40' ' ' LEU . 28.1 m -96.43 130.95 43.46 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.756 175.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.3 mm? -91.95 124.2 35.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.1 t -99.94 113.0 34.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.435 -177.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.507 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 34.4 m-85 -111.59 136.82 50.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.32 -178.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 80.6 p -150.09 152.58 35.01 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 176.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.4 p30 53.87 19.21 1.85 Allowed 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.734 0.647 . . . . 0.0 112.59 176.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.81 -6.96 81.83 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.957 -0.639 . . . . 0.0 113.042 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -116.33 147.53 41.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.671 0.736 . . . . 0.0 112.199 -177.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.507 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 63.9 tp -72.44 122.02 20.55 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.362 175.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.721 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -90.14 -36.71 14.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.457 -178.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 167.94 179.17 40.37 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.135 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -107.64 160.24 15.84 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 tm? . . . . . 0 C--N 1.324 -0.54 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -178.119 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 . . . . . 0 CA--C 1.523 -0.092 0 CA-C-O 120.994 0.426 . . . . 0.0 110.032 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.696 HD22 HD21 ' A' ' 61' ' ' LEU . 7.3 tt -56.86 -50.24 73.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.428 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.571 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 4.3 mm? -53.81 -45.0 70.66 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.818 -177.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 21.0 m -63.92 -47.62 79.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.687 0.279 . . . . 0.0 111.384 -177.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 119' ' ' LEU . 4.4 mm? -74.3 -44.49 52.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.33 -177.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -35.92 78.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 110.129 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.571 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -59.09 -43.22 91.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.037 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.2 m -63.32 -30.92 71.97 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 121.211 0.529 . . . . 0.0 110.668 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 65.6 mt -69.52 -38.39 76.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.938 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 29.0 m -100.86 25.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.8 t70 . . . . . 0 C--N 1.327 -0.371 0 CA-C-O 120.873 0.368 . . . . 0.0 110.387 179.282 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 . . . . . 0 CA--C 1.532 0.269 0 N-CA-C 112.147 0.425 . . . . 0.0 112.147 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.665 ' HG3' HD22 ' A' ' 14' ' ' LEU . 11.1 ptp180 -63.88 -29.74 70.9 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -177.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.665 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.9 mm? -75.31 -32.34 60.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.825 0.345 . . . . 0.0 110.397 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.8 mt -63.93 -30.92 71.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.252 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.7 m -59.93 -26.19 65.75 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.132 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -82.75 10.6 7.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.015 0.435 . . . . 0.0 110.834 -176.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.93 21.18 31.36 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.49 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 38.0 m0 -94.56 130.05 41.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.058 0.456 . . . . 0.0 110.557 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -93.11 122.71 62.85 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.043 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -77.5 115.73 3.95 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.317 2.011 . . . . 0.0 111.76 174.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.3 m -110.8 171.64 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.891 0.377 . . . . 0.0 111.324 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.466 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 45.9 mt-10 -111.44 170.41 8.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.94 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.508 ' HB2' ' HB3' ' A' ' 79' ' ' GLN . . . -72.36 -48.96 37.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.064 0.459 . . . . 0.0 110.95 -176.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.0 m -78.13 -30.06 49.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.07 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m -90.63 -13.02 35.16 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -172.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.469 HG12 ' O ' ' A' ' 24' ' ' ALA . 11.8 p -62.01 -31.48 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.658 0.266 . . . . 0.0 110.9 -179.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -59.15 -47.79 84.0 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.232 0.539 . . . . 0.0 110.783 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -65.68 -40.71 92.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.991 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -59.51 -49.24 78.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.797 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 27' ' ' VAL . 92.7 mt -59.78 -42.46 88.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -25.69 68.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.184 0.516 . . . . 0.0 110.354 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -80.37 -46.21 16.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.024 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 m -82.49 -43.47 19.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.256 -175.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.82 -56.88 3.74 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.056 -0.592 . . . . 0.0 111.653 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.404 ' OD1' ' HA ' ' A' ' 99' ' ' THR . 51.4 m-20 -113.97 139.92 48.84 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.384 -0.408 . . . . 0.0 110.072 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.04 174.07 34.34 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.068 -1.063 . . . . 0.0 112.934 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 10.1 m -131.77 127.97 59.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.139 0.495 . . . . 0.0 110.709 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.474 HG13 ' HB3' ' A' ' 73' ' ' ALA . 4.1 mp -111.29 134.57 53.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.549 HD12 HG12 ' A' ' 74' ' ' VAL . 76.7 mt -87.37 129.01 35.19 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 177.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.508 ' HG ' HD21 ' A' ' 96' ' ' LEU . 24.0 mt -79.71 -170.48 2.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.412 0.625 . . . . 0.0 111.836 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.474 ' N ' ' HB2' ' A' ' 80' ' ' SER . 90.3 p . . . . . 0 C--N 1.323 -0.578 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.642 -176.162 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.454 -0.253 0 CA-C-O 121.786 0.803 . . . . 0.0 109.558 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.7 ptp 168.96 -25.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 113.953 -1.476 . . . . 0.0 108.602 -174.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 58' ' ' ILE . 8.6 tp -69.17 -28.71 40.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.602 -171.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.511 ' O ' ' HG3' ' A' ' 63' ' ' ARG . . . -67.96 -51.51 46.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 110.707 -178.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.447 ' HA ' ' HD2' ' A' ' 63' ' ' ARG . 7.7 pt-20 -70.61 -29.44 65.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.989 -178.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.417 HD21 HD22 ' A' ' 116' ' ' LEU . 1.3 tm? -60.4 -56.95 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.358 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -64.0 -20.66 66.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.732 -178.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 59' ' ' ALA . 58.1 mtt180 -72.72 -5.69 39.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.339 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -84.65 -6.51 59.37 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.727 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -119.61 80.61 23.43 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -86.67 43.34 1.02 Allowed 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.846 2.364 . . . . 0.0 112.31 -175.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -110.08 -51.25 2.89 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.003 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.579 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 9.4 m-85 -94.41 165.51 12.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.536 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -102.09 82.62 2.24 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.579 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 61.2 m95 -70.38 147.87 49.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.479 -172.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -126.77 131.13 51.37 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 172.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.9 t -92.79 113.95 28.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.474 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -114.31 140.46 48.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.91 -178.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.549 HG12 HD12 ' A' ' 40' ' ' LEU . 16.0 m -118.69 142.83 31.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.292 178.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.5 151.11 31.95 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.672 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.84 ' HB3' ' HG2' ' A' ' 79' ' ' GLN . 2.9 t70 -53.87 147.66 11.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.535 175.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.42 -32.83 71.72 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -174.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -79.74 -43.27 22.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.998 0.428 . . . . 0.0 110.264 176.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.84 ' HG2' ' HB3' ' A' ' 76' ' ' ASP . 11.2 mm-40 -64.21 -34.83 78.99 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.323 -176.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.474 ' HB2' ' N ' ' A' ' 42' ' ' SER . 2.6 p -62.04 -26.98 68.57 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.891 0.701 . . . . 0.0 112.891 -174.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.8 -43.37 88.91 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.154 0.502 . . . . 0.0 109.664 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.8 -34.58 78.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.131 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.5 mt -68.52 -44.18 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.379 177.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.2 -33.0 86.04 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.562 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -70.96 -48.12 55.17 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.33 0.252 . . . . 0.0 111.084 177.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.628 ' NE ' ' HA ' ' A' ' 86' ' ' ARG . 1.0 OUTLIER -52.67 -47.03 67.43 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.092 -177.094 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -88.94 -0.82 57.74 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.361 -177.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.43 HD22 ' N ' ' A' ' 88' ' ' ASN . 0.9 OUTLIER 57.8 36.4 26.41 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.428 0.455 . . . . 0.0 110.378 -178.688 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.3 t -61.07 -69.41 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.62 -175.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.419 ' HA ' ' HD2' ' A' ' 90' ' ' ARG . 5.9 tpt180 177.89 -158.45 0.02 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.205 176.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -123.9 29.25 6.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.759 0.314 . . . . 0.0 111.132 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -138.57 158.05 71.06 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -61.93 123.62 12.95 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.875 2.384 . . . . 0.0 112.474 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.495 ' HB1' ' HB1' ' A' ' 106' ' ' ALA . . . -151.45 159.88 43.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.638 -179.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.413 HG23 HD23 ' A' ' 40' ' ' LEU . 6.4 m -99.03 136.84 38.41 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.0 mm? -91.68 125.27 36.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.838 0.352 . . . . 0.0 110.561 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.6 t -95.06 100.06 10.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.065 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.462 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 25.3 m-85 -103.81 136.35 43.65 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.368 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.404 ' HA ' ' OD1' ' A' ' 36' ' ' ASP . 0.2 OUTLIER -150.73 136.92 18.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.978 -178.232 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 57.58 17.13 3.76 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.955 0.902 . . . . 0.0 111.943 -178.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.77 -11.54 70.92 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.249 -176.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.11 148.72 29.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.378 0.608 . . . . 0.0 112.267 -179.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 65.6 tp -82.99 136.1 34.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.349 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.6 mmt-85 -100.12 -39.34 8.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.847 176.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 165.51 -166.91 38.69 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.088 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.495 ' HB1' ' HB1' ' A' ' 94' ' ' ALA . . . -111.92 156.26 22.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.673 0.273 . . . . 0.0 110.919 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.3 tm? . . . . . 0 C--N 1.325 -0.493 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.924 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 . . . . . 0 CA--C 1.523 -0.079 0 CA-C-O 120.701 0.286 . . . . 0.0 111.254 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.417 HD22 HD21 ' A' ' 61' ' ' LEU . 6.3 tt -56.41 -41.67 76.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.117 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.23 -56.97 15.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.483 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 27.8 m -63.79 -39.92 95.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.486 -178.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.419 ' O ' HG12 ' A' ' 123' ' ' ILE . 2.0 tm? -65.51 -51.35 60.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.729 0.3 . . . . 0.0 110.353 -176.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 27.3 ttt -69.07 -36.42 77.62 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.039 -177.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -63.61 -35.54 80.87 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.685 0.279 . . . . 0.0 111.222 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.0 t -66.42 -30.17 70.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.033 0.444 . . . . 0.0 110.512 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 119' ' ' LEU . 51.8 mm -79.36 -47.45 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 26.7 m -83.33 5.86 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.456 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 37.9 t70 . . . . . 0 C--N 1.331 -0.23 0 CA-C-O 121.014 0.435 . . . . 0.0 110.407 178.893 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 . . . . . 0 CA--C 1.531 0.243 0 N-CA-C 112.111 0.412 . . . . 0.0 112.111 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.457 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 34.1 mmt180 -73.07 -31.63 64.51 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -177.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.594 HD22 ' CZ3' ' A' ' 19' ' ' TRP . 77.9 mt -68.99 -30.43 68.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.177 0.513 . . . . 0.0 109.956 177.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.499 HD22 ' HG3' ' A' ' 21' ' ' PRO . 77.2 mt -63.14 -43.37 98.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.745 173.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 m -69.69 -26.64 64.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.969 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -70.95 -24.78 62.49 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.598 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.47 27.14 4.54 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.205 173.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.594 ' CZ3' HD22 ' A' ' 14' ' ' LEU . 52.2 m0 -99.43 144.05 28.98 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.747 0.308 . . . . 0.0 110.694 177.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.421 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 56.6 tp60 -82.16 123.37 79.56 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.115 -174.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.499 ' HG3' HD22 ' A' ' 15' ' ' LEU . 2.8 Cg_exo -74.97 107.73 2.55 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.876 2.384 . . . . 0.0 111.062 175.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.8 m -109.65 156.19 10.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.33 0.586 . . . . 0.0 112.251 -174.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.445 ' HB2' HG22 ' A' ' 26' ' ' THR . 26.6 mt-10 -111.37 165.27 12.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.069 -0.969 . . . . 0.0 108.811 176.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.37 -27.81 68.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.099 0.476 . . . . 0.0 111.114 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.8 p -76.8 -58.45 3.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.219 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.445 HG22 ' HB2' ' A' ' 23' ' ' GLU . 10.0 t -76.21 -20.22 57.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.3 -173.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.2 p -59.77 -37.54 71.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 121.024 -0.271 . . . . 0.0 111.262 -176.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.68 -45.51 92.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.124 0.488 . . . . 0.0 110.335 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.91 -38.46 76.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.447 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -59.53 -48.7 80.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.689 177.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.1 mt -61.88 -43.13 96.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.421 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -60.2 -30.21 69.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.284 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 33' ' ' ARG . 20.2 ttt180 -80.39 -46.57 15.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.578 -176.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.4 m -82.64 -34.07 11.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.055 0.455 . . . . 0.0 111.283 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.54 -55.28 4.98 Favored Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 111.674 -0.571 . . . . 0.0 111.674 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -120.83 133.41 55.31 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -175.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.92 177.88 39.51 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.268 -0.968 . . . . 0.0 112.482 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 29.4 m -130.03 140.49 48.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.144 0.497 . . . . 0.0 110.927 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.535 HG13 ' HB3' ' A' ' 73' ' ' ALA . 3.4 mp -113.89 127.66 71.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.922 178.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.7 mt -102.9 130.16 49.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.695 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.0 mt -82.48 159.2 22.94 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.149 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.5 t . . . . . 0 C--N 1.33 -0.268 0 CA-C-O 121.092 0.472 . . . . 0.0 110.31 -179.118 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.2 t . . . . . 0 N--CA 1.457 -0.116 0 CA-C-O 121.118 0.485 . . . . 0.0 110.411 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 86.0 mtp -88.86 11.04 19.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.867 -174.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.4 tp -82.57 -14.67 12.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.174 0.511 . . . . 0.0 110.184 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.04 -52.52 14.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.146 -173.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -63.37 -28.63 70.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 111.44 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.499 HD11 ' SD ' ' A' ' 120' ' ' MET . 2.4 tm? -56.12 -56.59 18.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.805 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.73 -22.65 65.55 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.164 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -72.84 -11.64 60.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.575 0.226 . . . . 0.0 111.018 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -89.21 -12.48 40.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.87 0.367 . . . . 0.0 110.458 -175.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -117.68 76.81 10.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.351 . . . . 0.0 110.623 178.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -87.55 43.52 0.91 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.673 2.249 . . . . 0.0 112.004 -176.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -96.74 -41.57 8.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.065 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -117.57 178.89 4.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.047 -177.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -104.33 105.5 15.66 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 172.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 36.1 m95 -94.4 143.45 26.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.142 -175.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -118.05 156.71 28.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.127 171.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.2 t -117.67 125.67 74.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.041 0.448 . . . . 0.0 110.252 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.535 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -118.55 153.88 33.48 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.37 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.7 m -129.52 146.21 34.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.077 0.465 . . . . 0.0 111.806 -178.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.56 129.44 49.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.154 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.488 ' OD2' ' HG ' ' A' ' 77' ' ' LEU . 21.3 t70 -46.96 -84.9 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 O-C-N 124.002 0.814 . . . . 0.0 112.614 -176.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.488 ' HG ' ' OD2' ' A' ' 76' ' ' ASP . 4.0 pp -165.05 -41.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 173.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.403 ' N ' HD12 ' A' ' 77' ' ' LEU . 42.8 tt0 -68.98 -42.45 76.55 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 171.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -62.79 -32.83 74.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.532 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.7 m -61.37 -36.28 79.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.524 0.202 . . . . 0.0 111.091 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.46 -49.73 74.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.246 0.546 . . . . 0.0 110.189 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.93 69.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.424 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.7 mt -61.88 -45.46 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.144 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.407 ' HA2' HG12 ' A' ' 89' ' ' VAL . . . -60.81 -43.75 98.84 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.123 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -66.49 -42.25 87.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.921 0.391 . . . . 0.0 110.973 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.0 tpt85 -61.7 -38.47 87.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.835 -177.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -93.21 0.8 57.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.195 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 60.75 36.23 19.38 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.071 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.407 HG12 ' HA2' ' A' ' 84' ' ' GLY . 7.6 p -95.42 27.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.53 0.681 . . . . 0.0 110.342 -176.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.431 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 12.5 mmt85 66.5 -153.39 0.23 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.796 -177.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -127.19 56.69 1.51 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.915 0.388 . . . . 0.0 110.711 -177.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 90' ' ' ARG . 54.5 p90 -144.24 154.43 57.41 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 176.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 21.2 Cg_endo -63.01 116.67 3.71 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.27 1.98 . . . . 0.0 112.467 179.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.56 144.81 32.1 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.639 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.421 ' HB ' ' HB3' ' A' ' 107' ' ' LEU . 17.0 m -76.85 126.65 31.34 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.3 mm? -91.33 123.86 35.09 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 176.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 47.0 t -102.44 105.37 17.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.474 -176.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.508 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 41.3 m-85 -107.9 137.73 45.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.336 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.4 133.76 17.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.653 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.3 t70 65.31 15.11 9.84 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.689 0.757 . . . . 0.0 110.72 -176.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.34 0.43 88.42 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.101 -177.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . 0.562 ' HD3' ' N ' ' A' ' 103' ' ' LEU . 12.7 tmtt? -112.03 144.63 41.07 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -177.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.562 ' N ' ' HD3' ' A' ' 102' ' ' LYS . 58.0 tp -78.98 110.5 14.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.539 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -77.98 -38.34 45.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.501 178.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 170.42 -173.74 44.36 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.089 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -117.83 166.12 12.85 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.748 HD11 ' HG ' ' A' ' 116' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--N 1.323 -0.557 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -177.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 34.1 mm-40 . . . . . 0 N--CA 1.463 0.196 0 CA-C-O 121.074 0.464 . . . . 0.0 110.557 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.748 ' HG ' HD11 ' A' ' 107' ' ' LEU . 6.5 tt -55.84 -45.59 78.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.734 -179.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.615 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 3.4 mm? -58.28 -46.44 86.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.575 -176.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.5 m -70.12 -39.36 75.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.324 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 119' ' ' LEU . 1.3 tm? -70.96 -50.81 30.46 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.876 0.37 . . . . 0.0 110.636 -176.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.499 ' SD ' HD11 ' A' ' 61' ' ' LEU . 28.3 ttt -70.08 -22.78 63.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.834 -177.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.615 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 39.2 ttt180 -55.56 -43.97 76.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.593 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 36.4 t -75.47 -29.92 59.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.72 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 47.7 mm -62.9 -48.31 88.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.966 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 35.6 m -95.33 13.92 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.695 -176.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 38.8 t70 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.209 -176.546 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 . . . . . 0 CA--C 1.527 0.069 0 CA-C-O 120.726 0.298 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.8 mmm180 -61.79 -28.22 69.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.404 -177.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.439 HD22 ' CZ3' ' A' ' 19' ' ' TRP . 69.3 mt -73.46 -45.83 51.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 176.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.36 -47.17 80.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.011 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.7 m -59.9 -25.74 65.34 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.108 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.489 ' HD2' ' CZ2' ' A' ' 19' ' ' TRP . 7.5 ttm180 -70.34 -11.88 61.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.372 -179.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.26 29.39 4.54 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.159 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.502 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 33.9 m0 -107.55 144.27 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.83 0.347 . . . . 0.0 110.773 -178.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -107.35 133.44 20.36 Favored Pre-proline 0 N--CA 1.448 -0.562 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -75.86 123.59 7.5 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.342 2.028 . . . . 0.0 111.476 174.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.1 m -111.08 158.19 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.196 0.522 . . . . 0.0 111.689 -177.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -114.78 168.95 9.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.621 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.411 ' HA ' HG12 ' A' ' 83' ' ' ILE . . . -65.98 -36.59 83.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.937 0.398 . . . . 0.0 111.033 -177.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.8 p -100.1 4.35 44.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.393 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.3 m -116.83 -20.14 9.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.828 0.347 . . . . 0.0 110.971 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 31' ' ' ILE . 11.4 p -61.56 -36.78 75.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.485 -176.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.423 ' HA ' HD12 ' A' ' 31' ' ' ILE . 7.4 p-10 -66.26 -29.31 69.52 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.076 0.465 . . . . 0.0 110.641 -178.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -74.55 -38.97 62.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.013 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -65.42 -43.31 90.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.347 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 27' ' ' VAL . 84.9 mt -56.28 -46.63 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.713 177.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.437 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -63.98 -27.59 69.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.092 178.712 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -44.06 25.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.921 -176.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.2 m -86.31 -42.72 15.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.65 -54.07 4.36 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.447 -176.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -124.94 141.25 52.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.89 -178.49 39.3 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.565 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.0 m -131.99 139.76 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.035 0.445 . . . . 0.0 110.933 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.448 ' HB ' ' HB2' ' A' ' 96' ' ' LEU . 3.3 mp -109.8 124.92 66.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.055 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.7 mt -101.49 121.57 42.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.492 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.2 mt -76.79 159.45 30.1 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.563 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 10.4 t . . . . . 0 C--N 1.329 -0.316 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 178.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.434 ' HA ' HH12 ' A' ' 17' ' ' ARG . 7.2 p . . . . . 0 N--CA 1.454 -0.24 0 CA-C-O 121.3 0.571 . . . . 0.0 110.591 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 66.0 mtm -110.85 4.99 20.25 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.124 -175.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.1 tp -81.52 -20.49 10.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.039 0.447 . . . . 0.0 110.751 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.496 ' O ' ' HG ' ' A' ' 62' ' ' LEU . . . -69.28 -49.39 56.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.123 -176.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.456 ' CD ' ' H ' ' A' ' 60' ' ' GLU . 1.7 pm0 -59.81 -29.91 68.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.305 177.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.897 HD11 ' HG3' ' A' ' 120' ' ' MET . 2.4 tm? -69.31 -57.49 5.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.151 178.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 4.0 pp -61.98 -36.18 80.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.786 -175.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -73.96 2.61 8.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.729 -176.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -91.09 -13.94 32.17 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.519 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -115.23 82.72 9.39 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.897 -178.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -86.38 43.14 1.03 Allowed 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.726 2.284 . . . . 0.0 112.208 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -101.21 -44.72 5.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.597 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.475 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 4.2 m-85 -108.94 171.43 7.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.632 178.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -99.77 93.14 5.65 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 173.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.475 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 36.7 m95 -82.14 137.11 35.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.151 -174.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -121.52 148.22 44.76 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.345 170.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.502 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 28.3 t -108.22 131.57 58.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 120.922 0.391 . . . . 0.0 110.332 -178.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.447 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -114.82 147.69 39.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.123 177.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.0 m -118.7 137.38 52.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.982 0.42 . . . . 0.0 110.773 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.404 ' HB1' HD12 ' A' ' 83' ' ' ILE . . . -87.69 17.66 4.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.243 -178.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.492 ' HB3' HE21 ' A' ' 79' ' ' GLN . 25.2 t70 61.12 -107.44 0.29 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.669 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.563 ' HA ' ' HB2' ' A' ' 42' ' ' SER . 5.3 mp -148.71 -58.05 0.22 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 176.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -61.29 -50.31 73.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.342 -177.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.529 ' NE2' ' H ' ' A' ' 79' ' ' GLN . 2.2 mp0 -67.35 -23.75 65.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.987 -176.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.3 m -54.37 -39.95 67.68 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -175.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -68.88 -40.53 79.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.88 0.371 . . . . 0.0 110.329 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.54 -41.74 79.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.865 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.411 HG12 ' HA ' ' A' ' 24' ' ' ALA . 65.2 mt -67.14 -40.61 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.428 178.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.74 -38.15 95.99 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.919 -0.657 . . . . 0.0 111.524 174.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -63.29 -37.79 88.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.225 0.536 . . . . 0.0 110.602 175.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -67.38 -35.32 79.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.303 -177.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -98.68 -2.13 39.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.623 0.249 . . . . 0.0 111.221 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 66.5 27.64 9.68 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.159 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.9 t -128.43 112.68 27.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.635 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.426 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 13.4 ptt180 -156.32 -165.95 2.03 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.825 -0.171 . . . . 0.0 111.337 -175.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.426 ' HB3' ' O ' ' A' ' 90' ' ' ARG . 52.2 ttp180 74.62 -50.6 0.67 Allowed 'General case' 0 N--CA 1.47 0.527 0 O-C-N 124.037 0.836 . . . . 0.0 110.771 -177.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -114.54 123.78 31.7 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 175.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.66 122.48 11.83 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 122.512 2.142 . . . . 0.0 111.492 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -138.28 153.89 49.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.188 -173.112 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.6 m -84.36 126.74 33.5 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.195 175.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.448 ' HB2' ' HB ' ' A' ' 39' ' ' ILE . 3.6 mm? -92.35 124.56 36.5 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 173.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.532 HG11 HG21 ' A' ' 123' ' ' ILE . 28.0 t -102.72 117.52 48.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.092 0.472 . . . . 0.0 110.889 -175.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.401 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 23.9 m-85 -114.99 135.86 53.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.337 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.32 138.01 19.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.492 176.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 61.99 23.94 14.18 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.339 0.399 . . . . 0.0 110.643 -176.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.41 15.63 75.16 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.161 -175.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -118.6 144.96 45.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.868 0.366 . . . . 0.0 110.696 -178.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.401 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 58.8 tp -86.02 122.42 30.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.919 177.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -86.58 -31.55 21.14 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 147.75 -168.69 28.65 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.581 178.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.33 168.46 9.14 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 107' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.537 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 179.65 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 . . . . . 0 CA--C 1.524 -0.034 0 CA-C-O 120.865 0.364 . . . . 0.0 111.302 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.93 -39.75 78.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.435 -177.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.94 -50.83 70.57 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.1 m -57.38 -50.17 73.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.143 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.16 -49.58 76.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.134 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.897 ' HG3' HD11 ' A' ' 61' ' ' LEU . 11.7 mmt -58.97 -39.87 83.06 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.416 ' HA ' HG22 ' A' ' 124' ' ' VAL . 25.1 mmt180 -64.33 -39.97 94.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.059 0.457 . . . . 0.0 111.007 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.7 t -65.36 -30.4 71.23 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.648 176.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.532 HG21 HG11 ' A' ' 97' ' ' VAL . 81.5 mt -78.07 -47.21 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.373 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' A' ' 121' ' ' ARG . 32.9 m -75.1 0.16 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.018 0.437 . . . . 0.0 111.329 -178.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 35.9 t70 . . . . . 0 C--N 1.327 -0.396 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.597 175.139 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 . . . . . 0 N--CA 1.465 0.308 0 N-CA-C 112.468 0.544 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.69 ' HG3' HD22 ' A' ' 14' ' ' LEU . 26.2 ptt180 -58.69 -29.57 66.74 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.503 0.192 . . . . 0.0 111.404 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.69 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.2 mm? -74.36 -32.71 62.87 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.109 0.481 . . . . 0.0 110.203 178.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.44 ' HA ' ' O ' ' A' ' 19' ' ' TRP . 20.7 mt -69.28 -35.28 75.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.954 -177.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.7 m -61.86 -25.32 67.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.453 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -76.43 -4.36 42.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.943 0.401 . . . . 0.0 110.801 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.91 10.58 39.71 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.932 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.56 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 42.2 m0 -96.54 131.82 42.77 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.855 0.359 . . . . 0.0 110.502 -177.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -80.79 134.67 53.19 Favored Pre-proline 0 N--CA 1.449 -0.505 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.397 -175.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -79.31 100.98 1.37 Allowed 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.559 2.173 . . . . 0.0 111.557 176.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.0 m -99.78 163.44 2.85 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.821 0 CA-C-O 121.963 0.887 . . . . 0.0 111.797 -177.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.35 -164.17 1.0 Allowed 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 114.091 -1.413 . . . . 0.0 109.986 -172.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.11 -29.98 20.2 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.272 0.558 . . . . 0.0 110.099 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.0 t -95.65 -49.86 5.19 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.094 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.8 p -71.64 -13.75 61.85 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -173.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.16 -30.47 48.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 120.777 0.322 . . . . 0.0 110.74 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -67.96 -45.93 72.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.127 0.489 . . . . 0.0 109.889 -179.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.2 -37.03 77.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.545 -178.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.422 ' O ' HG22 ' A' ' 34' ' ' VAL . 90.5 t90 -55.97 -49.8 72.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.673 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.0 mt -60.1 -45.5 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.636 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -58.39 -37.25 74.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.027 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.2 ttt-85 -75.61 -46.12 33.55 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.57 -173.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 30' ' ' TRP . 33.3 m -85.73 -37.06 11.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.019 -174.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.73 -53.67 4.73 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.049 -0.596 . . . . 0.0 111.903 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -115.43 123.7 49.27 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -178.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.18 173.49 41.88 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.479 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 13.6 m -132.58 139.58 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.963 0.411 . . . . 0.0 110.998 -179.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.6 mp -104.47 125.46 59.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.905 177.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.486 ' HB2' HG12 ' A' ' 74' ' ' VAL . 23.5 mt -102.12 128.2 48.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.416 176.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.4 mt -81.44 154.1 26.55 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 173.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.423 ' CB ' ' HA ' ' A' ' 77' ' ' LEU . 48.3 t . . . . . 0 C--N 1.324 -0.54 0 O-C-N 123.481 0.488 . . . . 0.0 110.687 179.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.3 t . . . . . 0 N--CA 1.455 -0.208 0 CA-C-O 121.456 0.646 . . . . 0.0 109.604 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.3 tpt -80.92 -23.48 38.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.144 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.1 tt -67.0 -18.8 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.095 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.31 -46.21 91.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.988 0.423 . . . . 0.0 110.433 177.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -64.16 -30.88 71.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.46 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.411 HD21 HD22 ' A' ' 116' ' ' LEU . 0.8 OUTLIER -59.38 -57.36 13.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.222 0.534 . . . . 0.0 110.035 179.5 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.6 mt -68.39 -27.38 66.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.739 -176.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -67.87 -13.24 61.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.601 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -82.71 -9.55 59.31 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -117.75 81.42 15.11 Favored Pre-proline 0 N--CA 1.452 -0.327 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.0 176.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -83.79 13.71 2.61 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.973 2.448 . . . . 0.0 112.037 -177.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -67.32 -43.13 82.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.113 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.72 166.91 15.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.739 -178.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -92.75 100.48 12.96 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 168.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -76.33 148.85 37.18 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.54 -172.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.3 133.28 54.17 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.138 175.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.56 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 17.0 t -104.43 126.03 59.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.77 134.7 54.16 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.067 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.486 HG12 ' HB2' ' A' ' 40' ' ' LEU . 6.2 m -118.63 149.71 21.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.666 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 79' ' ' GLN . . . -119.84 146.55 45.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.917 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.32 160.34 5.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.708 175.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.463 ' H ' HD23 ' A' ' 77' ' ' LEU . 2.6 pt? -58.94 -33.59 70.79 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.936 -0.305 . . . . 0.0 111.387 -174.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -77.55 -44.1 29.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.129 0.49 . . . . 0.0 109.993 176.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.492 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -56.5 -36.26 68.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.04 178.494 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.7 m -61.49 -35.62 78.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.343 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -69.66 -40.35 76.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.148 0.499 . . . . 0.0 109.693 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.59 -45.94 74.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.16 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.84 -37.29 79.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.992 0.425 . . . . 0.0 110.45 177.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.4 -31.33 76.96 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.799 175.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.07 -47.31 25.09 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 175.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -52.01 -39.55 59.64 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.229 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -102.84 -9.58 19.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.692 0.282 . . . . 0.0 110.715 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 55.69 62.01 2.59 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 122.127 0.965 . . . . 0.0 111.224 -174.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.455 HG21 HD11 ' A' ' 96' ' ' LEU . 12.0 t -125.0 17.82 4.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 114.251 -1.34 . . . . 0.0 108.159 176.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.4 ttm-85 -73.72 81.74 1.58 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.129 -175.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -141.56 -45.17 0.36 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.077 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.459 ' HB2' ' HD2' ' A' ' 93' ' ' PRO . 46.3 p90 -154.65 163.89 22.79 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.268 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 92' ' ' PHE . 23.5 Cg_endo -61.61 127.76 22.63 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.398 2.066 . . . . 0.0 111.401 175.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -153.51 156.19 37.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.961 0.41 . . . . 0.0 111.029 -173.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.8 m -99.75 132.74 44.9 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.282 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.455 HD11 HG21 ' A' ' 89' ' ' VAL . 3.4 mm? -91.53 124.51 35.75 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.5 t -98.68 103.02 14.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.032 -175.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 16.6 m-85 -106.95 127.23 53.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.868 178.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.0 p -140.58 133.08 28.57 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.57 -178.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.3 t70 62.0 24.04 14.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.341 0.591 . . . . 0.0 110.481 -179.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.29 -3.12 82.79 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.769 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -113.82 150.04 34.1 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 122.323 -0.516 . . . . 0.0 111.714 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.42 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 58.2 tp -85.78 130.05 34.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.844 178.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -99.02 -29.4 12.92 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.28 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 156.9 -159.22 29.44 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.984 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -107.68 171.13 7.56 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 107' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.072 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 3.0 mm-40 . . . . . 0 C--O 1.228 -0.051 0 CA-C-O 121.72 0.771 . . . . 0.0 109.406 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.711 ' O ' ' HG2' ' A' ' 120' ' ' MET . 4.3 mt -66.59 -37.43 84.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.6 -1.182 . . . . 0.0 112.411 -175.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 96.5 mt -49.82 -50.46 45.1 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -168.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.7 m -85.34 -40.07 16.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.884 0.373 . . . . 0.0 111.166 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.401 ' O ' HG13 ' A' ' 123' ' ' ILE . 0.5 OUTLIER -64.47 -50.56 67.0 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.519 -171.782 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.711 ' HG2' ' O ' ' A' ' 116' ' ' LEU . 27.3 ptt? -73.05 -30.32 63.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.941 0.4 . . . . 0.0 110.622 -175.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -74.12 -36.77 64.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.29 -175.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.1 t -63.86 -30.76 71.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.831 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 119' ' ' LEU . 68.3 mt -60.93 -41.47 89.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.046 0.451 . . . . 0.0 110.965 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 28.1 m -104.32 11.5 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.014 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 37.8 t70 . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 121.363 0.601 . . . . 0.0 110.22 179.625 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 . . . . . 0 CA--C 1.532 0.261 0 N-CA-C 112.584 0.587 . . . . 0.0 112.584 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.656 ' HG3' HD22 ' A' ' 14' ' ' LEU . 20.0 ptt180 -59.7 -30.61 68.91 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 111.709 0.262 . . . . 0.0 111.709 -177.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.656 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.0 mm? -72.41 -40.2 67.36 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.227 0.536 . . . . 0.0 110.052 178.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.0 mt -66.67 -32.82 74.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.746 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.6 m -67.23 -25.77 66.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.643 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -77.88 0.48 23.9 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.297 0.57 . . . . 0.0 110.442 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.92 31.83 9.6 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.632 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.1 m0 -104.22 134.85 46.76 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -90.0 130.81 41.12 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.222 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 75.1 Cg_endo -81.27 113.85 2.72 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.375 2.05 . . . . 0.0 111.323 172.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.9 m -102.53 154.57 5.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.147 0.498 . . . . 0.0 111.636 -176.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.441 ' HB2' ' HB ' ' A' ' 26' ' ' THR . 44.8 mt-10 -104.09 174.11 6.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.459 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.85 -36.32 70.12 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.34 177.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.2 p -101.91 12.74 36.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.238 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.441 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 12.8 m -129.14 -17.83 3.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.842 0.354 . . . . 0.0 111.315 -178.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.433 ' O ' HG13 ' A' ' 31' ' ' ILE . 14.0 p -64.17 -32.31 56.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.648 0.261 . . . . 0.0 110.981 -178.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -62.11 -47.09 86.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.545 -177.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.76 -39.6 92.18 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.056 0.455 . . . . 0.0 110.424 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 53.3 t90 -64.05 -50.94 66.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.059 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 27' ' ' VAL . 91.9 mt -57.98 -47.33 86.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.557 -177.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -25.3 63.74 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.517 -176.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 33' ' ' ARG . 21.3 ttt180 -81.63 -46.59 14.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.994 0.426 . . . . 0.0 111.218 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.2 m -74.55 -35.51 38.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.063 -177.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.9 -52.61 4.49 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.175 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -125.48 136.33 53.25 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -175.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.22 -177.54 40.58 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.293 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 23.2 m -135.39 138.54 48.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.024 0.44 . . . . 0.0 111.019 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.537 HG13 ' HB3' ' A' ' 73' ' ' ALA . 2.4 mp -108.86 126.83 65.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.448 176.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.491 ' HB2' HG12 ' A' ' 74' ' ' VAL . 87.1 mt -96.15 125.65 40.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.043 177.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.9 mt -81.39 156.11 25.58 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t . . . . . 0 C--N 1.325 -0.473 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.485 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 110.547 -0.168 . . . . 0.0 110.547 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 65.6 mtm 73.48 -33.7 0.27 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.543 0.737 . . . . 0.0 112.339 177.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.408 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 11.3 tp -59.14 -32.53 48.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.732 -176.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.81 -45.54 24.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.911 0.386 . . . . 0.0 111.625 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.37 -30.3 67.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.407 -177.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.51 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 2.1 tm? -57.99 -51.72 68.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.312 0.577 . . . . 0.0 109.853 177.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 85.0 mt -57.08 -31.63 65.43 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.999 -1.001 . . . . 0.0 112.023 -178.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 -75.46 2.35 11.75 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -172.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 61' ' ' LEU . 5.1 pt-20 -88.67 -4.26 58.59 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.787 174.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -110.42 82.52 2.79 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 175.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.468 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 97.1 Cg_endo -86.39 11.37 3.32 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.851 2.367 . . . . 0.0 113.414 -170.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -70.49 -47.18 61.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.901 0.381 . . . . 0.0 111.795 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -135.59 163.65 29.62 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.535 -176.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -83.28 113.07 20.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.612 -173.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -86.97 141.56 28.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.39 176.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -129.42 142.87 50.69 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.139 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.8 t -108.42 132.37 56.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.011 0.434 . . . . 0.0 110.596 -176.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.537 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -125.58 148.44 48.93 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.42 177.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.491 HG12 ' HB2' ' A' ' 40' ' ' LEU . 18.2 m -127.56 166.84 23.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.085 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -142.51 153.93 44.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.003 0.43 . . . . 0.0 111.376 -178.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -67.72 170.24 8.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.093 175.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.409 ' H ' HD12 ' A' ' 77' ' ' LEU . 7.5 mp -52.87 -53.06 54.4 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 122.375 0.27 . . . . 0.0 111.253 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 79' ' ' GLN . 6.3 pt-20 -69.94 -36.21 75.13 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.043 0.449 . . . . 0.0 110.762 -177.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.481 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 97.6 mt-30 -63.94 -43.83 94.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.11 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.4 m -65.42 -33.24 75.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.639 177.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -65.43 -51.84 57.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.342 177.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.86 -47.22 81.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.473 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 87.4 mt -66.08 -49.56 75.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.141 0.496 . . . . 0.0 110.59 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -58.85 -41.06 95.92 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.454 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.54 -37.78 87.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 111.08 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -62.57 -35.45 79.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.581 178.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -95.97 2.89 53.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.729 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 66.23 19.93 11.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.923 177.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.6 t -123.56 78.85 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.244 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -136.81 11.69 3.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.662 171.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -87.38 -20.82 26.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.342 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -151.21 142.52 15.4 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.546 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.4 134.08 40.2 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.693 2.262 . . . . 0.0 111.76 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -158.84 145.92 17.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.456 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.452 ' HB ' ' HB3' ' A' ' 107' ' ' LEU . 15.2 m -79.71 131.2 35.88 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.3 mm? -91.34 124.1 35.28 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.3 t -95.97 106.79 18.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.447 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -108.15 134.15 51.41 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.009 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -154.94 138.8 16.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.355 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.9 t70 65.82 14.84 9.78 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.566 0.698 . . . . 0.0 110.24 -178.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.75 2.36 90.64 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.389 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -111.17 157.73 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.389 . . . . 0.0 111.28 -178.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 60.9 tp -89.51 124.9 34.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.778 175.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -93.05 -25.13 18.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.989 0.424 . . . . 0.0 110.715 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 152.7 -166.86 31.44 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.194 178.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.58 145.36 41.37 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.452 ' HB3' ' HB ' ' A' ' 95' ' ' THR . 1.1 tm? . . . . . 0 C--N 1.322 -0.608 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 -176.432 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 N--CA 1.462 0.154 0 CA-C-O 121.143 0.497 . . . . 0.0 110.772 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.8 tt -59.46 -41.27 89.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.78 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.451 HD22 ' H ' ' A' ' 117' ' ' LEU . 3.1 mm? -55.83 -47.88 76.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.385 -175.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.9 m -62.56 -46.76 86.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.935 0.398 . . . . 0.0 111.315 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.561 ' O ' HG13 ' A' ' 123' ' ' ILE . 4.3 mm? -71.4 -49.82 38.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.472 -176.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.456 ' HA ' HD12 ' A' ' 123' ' ' ILE . 17.0 tpt -58.89 -41.01 86.15 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.904 0.383 . . . . 0.0 111.158 -178.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 121' ' ' ARG . 17.5 ttt85 -67.38 -30.53 70.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.335 0.588 . . . . 0.0 110.521 -178.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.0 t -75.27 -29.68 60.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.66 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 119' ' ' LEU . 78.3 mt -61.78 -38.18 79.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.255 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.3 m -81.9 35.99 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-O 121.243 0.544 . . . . 0.0 111.267 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 24.1 t70 . . . . . 0 N--CA 1.469 0.505 0 CA-C-N 115.382 -0.827 . . . . 0.0 111.485 179.943 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 . . . . . 0 CA--C 1.533 0.313 0 N-CA-C 111.827 0.306 . . . . 0.0 111.827 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -53.0 -38.8 62.59 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 122.671 0.388 . . . . 0.0 111.627 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.624 HD23 HG11 ' A' ' 74' ' ' VAL . 7.7 mp -66.35 -36.16 82.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.99 0.424 . . . . 0.0 110.156 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.2 mt -75.45 -30.26 59.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.593 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.6 m -67.13 -33.88 76.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.011 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -81.46 172.39 13.57 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.3 45.01 2.51 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.953 -0.642 . . . . 0.0 113.434 -175.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.497 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 51.7 m0 -105.51 138.35 41.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.964 0.412 . . . . 0.0 111.254 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.438 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 2.3 mp0 -97.72 135.44 21.59 Favored Pre-proline 0 N--CA 1.449 -0.518 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.256 177.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 1.7 Cg_endo -81.45 118.22 3.19 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.61 2.206 . . . . 0.0 111.098 175.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.4 m -108.95 155.64 9.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.271 0.558 . . . . 0.0 111.88 -176.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.473 ' HB2' HG22 ' A' ' 26' ' ' THR . 43.8 mt-10 -117.96 168.35 10.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.567 177.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.16 -24.76 67.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.954 0.406 . . . . 0.0 111.301 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 p -91.11 -13.02 33.84 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -176.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.473 HG22 ' HB2' ' A' ' 23' ' ' GLU . 14.2 t -126.06 -6.73 6.62 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.565 -0.454 . . . . 0.0 112.124 -177.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -61.91 -39.2 82.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.601 0.239 . . . . 0.0 111.211 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -68.61 -28.7 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.846 -177.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -76.93 -43.06 36.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.563 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . 0.444 ' O ' HG22 ' A' ' 34' ' ' VAL . 92.2 t90 -56.67 -46.83 80.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.089 178.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.463 HD13 ' CE1' ' A' ' 98' ' ' PHE . 63.8 mt -61.47 -41.51 90.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.716 178.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -57.72 -39.95 78.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.501 0.667 . . . . 0.0 111.039 175.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -78.98 -35.87 42.32 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.356 -171.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.562 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 26.8 m -86.41 -45.48 16.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.525 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.99 -61.82 0.59 Allowed Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.006 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -127.52 137.01 52.52 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -175.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 168.84 -171.59 42.91 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.054 -1.07 . . . . 0.0 112.893 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.491 HG23 HG13 ' A' ' 72' ' ' VAL . 15.3 m -136.55 138.68 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.979 0.418 . . . . 0.0 111.005 -178.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.52 HG13 ' HB3' ' A' ' 73' ' ' ALA . 2.0 mp -109.92 128.2 66.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.88 178.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.485 ' HB2' HG12 ' A' ' 74' ' ' VAL . 97.6 mt -96.93 132.89 42.26 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.249 178.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.0 mt -94.72 156.73 16.27 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.1 t . . . . . 0 C--N 1.32 -0.685 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 175.28 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.474 ' C ' ' H ' ' A' ' 58' ' ' ILE . 29.2 m . . . . . 0 N--CA 1.452 -0.363 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 67.7 mtm 71.57 -21.84 0.21 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.052 0.541 . . . . 0.0 111.615 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.474 ' H ' ' C ' ' A' ' 56' ' ' VAL . 9.7 tp -62.35 -24.41 34.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.192 0.52 . . . . 0.0 110.534 177.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.73 -26.21 54.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.763 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.72 -29.07 68.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.818 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -52.4 -43.12 64.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.767 179.751 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.7 -17.24 13.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.415 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.445 ' HD3' HH11 ' A' ' 63' ' ' ARG . 30.9 mmt180 -77.68 -21.29 52.3 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.29 -0.256 . . . . 0.0 110.879 178.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.791 ' HB3' HD11 ' A' ' 117' ' ' LEU . 8.7 mm-40 -86.96 -29.23 22.19 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 120.935 0.398 . . . . 0.0 110.798 -172.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -121.27 77.66 34.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.643 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -81.82 9.63 3.85 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.345 2.697 . . . . 0.0 112.201 -177.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -65.23 -44.79 87.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.217 176.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.449 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 4.5 m-85 -108.02 156.52 19.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.116 177.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -97.64 93.53 6.46 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 169.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.449 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 18.5 m95 -78.36 143.6 36.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.832 -170.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.562 ' OE1' ' HB ' ' A' ' 34' ' ' VAL . 28.0 mp0 -111.39 139.84 46.47 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 168.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.497 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 21.2 t -109.04 135.11 48.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.47 -177.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.52 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -129.18 154.57 46.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.605 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.624 HG11 HD23 ' A' ' 14' ' ' LEU . 11.7 m -125.69 147.58 30.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.468 178.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.36 141.25 28.65 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.724 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.529 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 3.2 t70 -57.01 152.34 13.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.288 174.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.4 mt -51.68 -43.23 62.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.778 0.323 . . . . 0.0 111.522 -176.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -78.72 -50.45 11.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.12 0.486 . . . . 0.0 110.443 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.529 ' HB2' ' HB3' ' A' ' 76' ' ' ASP . 19.2 mm-40 -62.89 -25.81 68.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.435 -175.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.2 t -59.04 -35.81 73.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.59 0.233 . . . . 0.0 111.406 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.02 -43.11 79.54 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.33 -39.36 81.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.212 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.9 mt -66.39 -39.32 83.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 120.757 0.313 . . . . 0.0 110.85 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.96 -43.59 97.99 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.564 176.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.13 -40.88 95.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.281 0.562 . . . . 0.0 110.75 175.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -55.54 -41.6 73.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.969 -176.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -102.28 -1.38 31.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.125 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 56.12 49.98 14.47 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.27 0.557 . . . . 0.0 110.514 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.9 p -69.99 150.56 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.59 -177.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -70.64 140.76 51.66 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 56.6 mtt180 -58.54 164.98 2.35 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -176.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.462 ' HB2' ' O ' ' A' ' 91' ' ' ARG . 88.9 m-85 77.96 151.91 0.13 Allowed Pre-proline 0 N--CA 1.47 0.546 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.437 -174.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -45.67 121.92 4.49 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.582 2.854 . . . . 0.0 112.356 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -140.68 143.98 35.39 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 121.427 0.632 . . . . 0.0 111.419 -171.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.3 m -101.08 131.3 47.06 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.987 173.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.8 mm? -91.19 124.3 35.29 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.407 ' CG2' HD23 ' A' ' 107' ' ' LEU . 44.8 t -97.22 114.16 33.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.852 -177.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.469 ' CD2' HD13 ' A' ' 39' ' ' ILE . 50.8 m-85 -112.05 140.8 46.43 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.261 0.553 . . . . 0.0 110.846 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.605 ' HB ' HH11 ' A' ' 104' ' ' ARG . 1.3 m -153.1 148.55 27.12 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -177.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.41 16.02 3.86 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 123.558 0.743 . . . . 0.0 112.337 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.86 -8.97 79.05 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.579 -175.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -120.25 178.06 4.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.209 0.504 . . . . 0.0 111.675 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.409 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 37.6 tp -83.41 129.09 34.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.985 0.422 . . . . 0.0 110.965 -176.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.605 HH11 ' HB ' ' A' ' 99' ' ' THR . 0.2 OUTLIER -91.76 -48.96 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.674 178.245 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 175.71 -164.03 34.04 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.812 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.67 147.68 52.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.733 0.301 . . . . 0.0 110.668 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.424 HD21 ' HG3' ' A' ' 120' ' ' MET . 1.8 mm? . . . . . 0 C--N 1.325 -0.487 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.435 179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 . . . . . 0 CA--C 1.521 -0.162 0 CA-C-O 121.101 0.477 . . . . 0.0 110.143 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.1 tt -58.12 -40.82 82.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.697 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.791 HD11 ' HB3' ' A' ' 64' ' ' GLU . 4.6 mm? -62.1 -28.94 69.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.485 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.0 m -82.73 -45.77 14.0 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.946 0.403 . . . . 0.0 110.54 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -70.21 -49.9 45.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.277 -174.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.424 ' HG3' HD21 ' A' ' 107' ' ' LEU . 28.1 ttt -72.52 -24.6 61.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 -173.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 9.6 ttt180 -68.81 -28.02 66.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.549 -178.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 36.2 m -61.14 -29.85 70.02 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.132 176.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.44 HG22 ' CG ' ' A' ' 104' ' ' ARG . 47.4 mt -80.06 -49.28 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.24 0.543 . . . . 0.0 110.559 177.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.2 m -91.83 35.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.17 -177.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.3 t70 . . . . . 0 C--N 1.326 -0.452 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.094 -178.699 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 . . . . . 0 N--CA 1.468 0.427 0 N-CA-C 112.672 0.619 . . . . 0.0 112.672 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.742 ' HG3' HD22 ' A' ' 14' ' ' LEU . 22.7 ptt180 -55.3 -31.11 61.38 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -175.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.742 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.2 mm? -72.96 -41.76 64.07 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.179 0.514 . . . . 0.0 109.678 178.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.433 HD22 ' HG3' ' A' ' 21' ' ' PRO . 86.6 mt -67.75 -26.05 65.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.535 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -60.2 -38.4 83.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.868 177.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -75.52 -33.59 60.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.086 0.469 . . . . 0.0 109.973 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 141.59 -130.08 4.25 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.39 176.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.6 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 38.8 m0 67.28 154.56 0.1 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.682 0.753 . . . . 0.0 112.1 -178.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.44 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 2.1 mp0 -90.59 120.89 68.85 Favored Pre-proline 0 N--CA 1.442 -0.859 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.385 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 4.5 Cg_exo -78.56 105.77 2.02 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.54 2.16 . . . . 0.0 111.012 175.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.5 m -101.73 -173.63 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.953 -177.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -132.35 179.92 5.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.081 -178.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . 0.522 ' HA ' HG12 ' A' ' 83' ' ' ILE . . . -63.5 -48.64 76.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.006 0.431 . . . . 0.0 111.389 -177.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.4 m -88.17 -32.05 18.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.819 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 m -70.09 -26.39 63.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.844 -176.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 31' ' ' ILE . 11.7 p -63.61 -34.0 65.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.616 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.51 -42.29 96.11 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.316 0.579 . . . . 0.0 110.224 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.533 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 12.4 t70 -69.85 -40.48 75.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.401 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -60.81 -47.06 88.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.536 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 27' ' ' VAL . 95.8 mt -56.44 -50.63 71.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.606 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.533 ' HE3' ' HA ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -67.6 -20.17 65.33 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.946 -175.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.8 ttt85 -81.71 -48.25 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.554 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.6 m -76.29 -36.42 29.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.552 -174.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.18 -50.12 3.36 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 121.324 -0.465 . . . . 0.0 112.16 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -122.07 125.89 47.23 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -177.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.34 174.52 41.2 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.164 -1.017 . . . . 0.0 112.885 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 11.6 m -133.4 133.98 57.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.141 0.496 . . . . 0.0 110.782 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.438 ' HB ' ' HB2' ' A' ' 96' ' ' LEU . 3.8 mp -103.81 125.59 58.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.013 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.508 ' HB2' HG12 ' A' ' 74' ' ' VAL . 51.8 mt -99.47 114.42 27.36 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 175.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.1 mt -70.42 147.72 49.18 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.51 ' HB2' ' O ' ' A' ' 75' ' ' ALA . 33.4 t . . . . . 0 C--N 1.321 -0.67 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.73 -177.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.8 p . . . . . 0 CA--C 1.53 0.19 0 CA-C-O 121.419 0.628 . . . . 0.0 110.777 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 78.0 mtp -95.17 7.14 47.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.391 -175.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.45 HG21 HD11 ' A' ' 40' ' ' LEU . 9.4 tp -76.67 -18.51 14.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.646 -177.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.51 -52.52 38.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.472 -176.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -68.6 -29.17 67.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.96 0.41 . . . . 0.0 110.537 -179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.781 HD21 HD22 ' A' ' 116' ' ' LEU . 2.4 tm? -70.33 -55.69 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.542 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.4 tp -55.91 -36.88 68.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.284 -174.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -74.5 14.35 0.48 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -176.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.72 -18.19 30.02 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 173.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -121.74 62.85 14.23 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.139 -176.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -84.23 43.3 1.33 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.213 1.942 . . . . 0.0 112.251 -175.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -82.59 -38.45 23.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.234 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.22 177.64 5.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.561 -175.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -90.38 89.98 7.84 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 173.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.403 ' CE3' HG13 ' A' ' 38' ' ' VAL . 78.5 m95 -75.64 141.2 42.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.434 0.635 . . . . 0.0 110.616 -179.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -126.75 136.34 52.29 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.665 178.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.6 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 17.0 t -105.25 129.41 58.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.058 0.456 . . . . 0.0 110.582 -176.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.02 151.61 46.87 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.832 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.508 HG12 ' HB2' ' A' ' 40' ' ' LEU . 14.4 m -129.44 161.74 38.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.06 178.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 42' ' ' SER . . . -132.29 165.08 25.0 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 121.186 -0.206 . . . . 0.0 110.906 -177.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.502 ' HB3' ' HG2' ' A' ' 79' ' ' GLN . 18.4 t70 -63.87 157.29 25.07 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.512 0.508 . . . . 0.0 110.84 -178.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.459 ' H ' HD12 ' A' ' 77' ' ' LEU . 7.3 mp -51.13 -57.03 9.77 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -171.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -77.05 -40.93 44.45 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -172.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.537 ' O ' HG13 ' A' ' 83' ' ' ILE . 3.7 pt20 -65.64 -29.46 70.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.628 0.251 . . . . 0.0 111.013 -176.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.1 m -52.82 -33.11 47.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.757 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -69.48 -41.29 76.33 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.32 -29.24 62.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.16 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 79' ' ' GLN . 69.2 mt -63.98 -36.12 75.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.039 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.19 -33.68 86.71 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.592 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -74.77 -34.33 62.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.873 0.368 . . . . 0.0 110.182 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -56.2 -43.49 78.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.92 175.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.457 ' HB2' HG23 ' A' ' 89' ' ' VAL . 25.8 m-85 -83.49 -1.1 52.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.782 179.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.429 HD22 ' N ' ' A' ' 88' ' ' ASN . 0.9 OUTLIER 64.05 38.63 8.38 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.697 178.328 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.559 HG12 ' H ' ' A' ' 90' ' ' ARG . 10.4 t -88.36 173.03 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.113 178.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.582 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 53.4 mmm-85 -70.76 7.03 1.23 Allowed 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 62.92 89.04 0.09 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 122.892 0.477 . . . . 0.0 111.438 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.582 ' CE1' ' HB2' ' A' ' 90' ' ' ARG . 52.2 p90 -170.71 155.44 4.77 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -59.74 118.13 4.97 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.507 2.138 . . . . 0.0 112.015 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -160.63 158.97 29.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.093 -174.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.4 m -89.82 131.12 35.93 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.517 175.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.494 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.4 mm? -91.35 125.39 36.09 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.013 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.7 t -99.94 112.39 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.973 -175.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.466 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 34.4 m-85 -121.34 131.49 54.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.196 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 60.6 p -141.34 130.98 24.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.881 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 t70 63.4 19.36 11.64 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.359 0.599 . . . . 0.0 111.065 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.9 6.0 89.32 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.005 -177.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -107.24 142.3 37.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.825 0.345 . . . . 0.0 110.623 -177.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.466 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 48.7 tp -80.02 122.48 26.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.406 178.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -99.9 -34.22 10.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.885 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 146.08 -166.94 27.92 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.449 176.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -110.81 158.8 18.28 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.7 tm? . . . . . 0 C--N 1.323 -0.55 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -176.805 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 . . . . . 0 N--CA 1.467 0.381 0 CA-C-O 120.633 0.254 . . . . 0.0 111.468 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.781 HD22 HD21 ' A' ' 61' ' ' LEU . 9.5 tt -53.88 -45.3 71.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.134 175.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.42 HD22 ' N ' ' A' ' 117' ' ' LEU . 3.3 mm? -65.72 -42.91 90.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.319 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.7 m -59.73 -48.15 82.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.023 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 119' ' ' LEU . 4.3 mm? -71.68 -48.89 44.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.293 -179.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -59.15 -39.44 82.43 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.004 -177.382 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -61.29 -36.84 81.15 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.5 t -68.94 -30.86 69.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.136 0.493 . . . . 0.0 109.955 176.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 48.8 mm -65.87 -38.79 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.333 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 28.2 m -99.18 20.15 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.374 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 23.2 t70 . . . . . 0 C--N 1.33 -0.278 0 CA-C-O 121.343 0.592 . . . . 0.0 110.342 179.607 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 . . . . . 0 CA--C 1.531 0.241 0 N-CA-C 112.668 0.618 . . . . 0.0 112.668 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.427 ' HG3' HD22 ' A' ' 14' ' ' LEU . 35.8 ptt180 -66.04 -28.49 68.89 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.8 -174.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.442 HD13 ' HA ' ' A' ' 14' ' ' LEU . 4.2 mm? -71.2 -38.49 72.05 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 176.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.4 mt -64.21 -35.53 81.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.839 174.349 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.9 m -68.37 -27.14 65.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.213 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -70.06 -26.44 64.01 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.794 0.331 . . . . 0.0 110.362 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.32 20.78 5.77 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.405 -0.903 . . . . 0.0 112.642 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 37.2 m0 -83.04 136.33 34.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.836 0.35 . . . . 0.0 110.346 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 -89.9 120.1 69.37 Favored Pre-proline 0 N--CA 1.448 -0.562 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.608 -177.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 57.0 Cg_endo -74.56 105.4 2.05 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 122.15 1.9 . . . . 0.0 110.373 170.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.497 HG13 ' HB1' ' A' ' 73' ' ' ALA . 9.1 m -84.78 160.81 3.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.455 0.645 . . . . 0.0 111.471 -175.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.647 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 36.7 mt-10 -115.17 -175.59 2.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.64 -178.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.18 -50.26 6.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.906 0.384 . . . . 0.0 111.307 -175.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.4 t -76.83 -36.37 56.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.883 -173.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.4 t -105.9 19.48 20.46 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.152 -0.343 . . . . 0.0 111.859 -174.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.647 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 12.7 p -65.09 -39.26 85.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 120.674 0.273 . . . . 0.0 111.241 -179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.503 ' HA ' HD12 ' A' ' 31' ' ' ILE . 4.7 p-10 -75.14 -23.52 57.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.533 0.206 . . . . 0.0 110.76 -176.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -66.59 -43.6 84.44 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -60.28 -45.19 94.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.04 176.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' A' ' 28' ' ' ASP . 76.2 mt -59.23 -43.43 89.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.822 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.478 ' HD2' ' O ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -66.04 -32.08 73.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.181 0.515 . . . . 0.0 110.234 178.749 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.35 -45.61 38.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.906 -175.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.6 m -86.13 -31.59 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.965 0.412 . . . . 0.0 111.684 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.55 -54.65 4.84 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 121.127 -0.559 . . . . 0.0 111.926 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -126.26 129.11 48.27 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.673 0.273 . . . . 0.0 110.267 -176.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.95 176.0 42.89 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.336 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.2 m -132.06 144.14 38.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.739 0.304 . . . . 0.0 111.189 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.3 mp -110.64 126.48 67.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.83 176.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.545 ' HB2' HG12 ' A' ' 74' ' ' VAL . 80.4 mt -96.88 129.7 44.28 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.691 177.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 93' ' ' PRO . 92.5 mt -96.74 160.87 14.14 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 174.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.1 t . . . . . 0 C--N 1.332 -0.165 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.955 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 57' ' ' MET . 34.4 m . . . . . 0 N--CA 1.455 -0.202 0 N-CA-C 110.323 -0.251 . . . . 0.0 110.323 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.45 ' HA ' ' OE1' ' A' ' 60' ' ' GLU . 87.8 mtp 71.4 6.5 5.78 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.281 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.494 HD12 HD13 ' A' ' 61' ' ' LEU . 9.3 tp -76.84 -16.13 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.057 0.456 . . . . 0.0 109.845 176.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.53 -53.51 11.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.87 -178.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.593 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 1.5 pm0 -64.93 -30.45 71.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.096 0.475 . . . . 0.0 110.302 176.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.638 HD21 HD21 ' A' ' 116' ' ' LEU . 7.1 tt -64.28 -55.09 23.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.705 175.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.3 tp -60.05 -39.32 85.53 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.921 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.593 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 5.3 ptp180 -75.14 15.13 0.45 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.886 0.374 . . . . 0.0 111.656 -176.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.481 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 38.1 mm-40 -74.64 -12.27 60.4 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 172.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -114.64 80.64 6.45 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.485 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 5.9 Cg_exo -74.41 -6.96 19.08 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.817 2.344 . . . . 0.0 111.603 178.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -54.8 -48.53 72.64 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.64 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.472 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 5.6 m-85 -108.71 -174.35 2.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.881 178.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -127.72 106.25 9.01 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 173.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.472 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 11.2 m95 -96.27 151.31 19.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.175 -170.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -111.23 157.89 19.59 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 170.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.4 t -109.87 119.23 58.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.856 0.36 . . . . 0.0 110.418 -178.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.497 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -115.95 148.27 40.25 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.199 178.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.545 HG12 ' HB2' ' A' ' 40' ' ' LEU . 16.9 m -131.58 149.52 33.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 120.939 0.399 . . . . 0.0 111.212 -178.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.59 149.12 27.63 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 171.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.512 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 13.6 p-10 -81.26 30.6 0.34 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.746 0.307 . . . . 0.0 110.644 -177.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' ' 76' ' ' ASP . 10.4 mp 73.82 -47.59 0.65 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.596 0.759 . . . . 0.0 110.59 -174.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -67.6 -51.26 52.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.509 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 0.7 OUTLIER -56.26 -23.38 35.81 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -177.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.438 ' HA ' HD22 ' A' ' 41' ' ' LEU . 8.4 m -49.66 -43.9 47.35 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -172.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.23 -45.74 83.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.131 0.491 . . . . 0.0 110.469 -178.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.61 -44.9 73.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.98 -39.2 82.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.5 -51.73 56.07 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.619 -0.801 . . . . 0.0 111.939 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -67.17 -33.65 75.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.888 0.375 . . . . 0.0 110.78 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -57.87 -34.65 69.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.067 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -106.68 13.98 27.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.815 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 64.23 31.98 12.71 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.156 175.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.789 HG12 ' H ' ' A' ' 90' ' ' ARG . 2.4 t -91.65 -158.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 175.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.789 ' H ' HG12 ' A' ' 89' ' ' VAL . 43.8 ttt180 -162.53 -175.03 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -173.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.688 ' H ' ' HG2' ' A' ' 90' ' ' ARG . 7.5 tpp180 -56.52 157.13 5.4 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 175.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.435 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 97.5 m-85 70.54 96.63 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.391 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 -170.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.476 ' HB3' ' HB2' ' A' ' 41' ' ' LEU . 8.2 Cg_exo -72.85 -175.69 2.01 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 123.862 3.041 . . . . 0.0 114.42 -167.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -171.75 162.63 6.28 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 114.56 -1.2 . . . . 0.0 109.472 -174.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.6 m -83.39 128.35 34.44 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 171.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.95 123.74 34.67 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.692 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.1 t -98.53 108.16 21.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.143 -176.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -111.35 130.82 55.56 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.925 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.07 141.14 27.3 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.125 -178.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.7 t70 63.1 21.54 12.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.54 0.686 . . . . 0.0 110.778 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.54 9.54 82.11 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.207 -176.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -123.64 157.1 34.56 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.807 0.336 . . . . 0.0 110.876 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 63.9 tp -76.2 129.24 36.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.274 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.479 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -99.38 -42.09 7.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.481 176.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 169.29 -173.55 43.68 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.404 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -125.8 147.32 49.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.518 0 CA-C-O 120.832 0.349 . . . . 0.0 110.164 -176.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 . . . . . 0 CA--C 1.519 -0.24 0 N-CA-C 111.843 0.312 . . . . 0.0 111.843 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.638 HD21 HD21 ' A' ' 61' ' ' LEU . 8.5 tt -54.59 -42.88 71.6 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.15 178.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -57.75 -46.16 84.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.961 177.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.7 m -63.25 -51.37 66.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.225 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.0 -50.06 65.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.961 -174.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.474 ' HG2' ' O ' ' A' ' 116' ' ' LEU . 24.5 ptt? -64.5 -34.05 77.33 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.631 -176.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -73.8 -37.17 65.01 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 120.71 0.29 . . . . 0.0 111.43 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.0 t -64.81 -30.61 71.63 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.991 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 61.7 mt -73.98 -42.26 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.846 0.355 . . . . 0.0 110.81 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 34.8 m -84.89 11.94 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.044 0.45 . . . . 0.0 111.314 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 12.7 t70 . . . . . 0 C--N 1.328 -0.367 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.392 179.989 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 . . . . . 0 CA--C 1.533 0.297 0 CA-C-O 120.585 0.231 . . . . 0.0 111.296 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.743 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 5.3 mmp_? -69.92 -29.14 66.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.737 -0.211 . . . . 0.0 111.369 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.8 mt -68.5 -40.51 80.86 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 174.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.8 mt -62.96 -27.44 69.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.49 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.0 m -62.09 -43.55 98.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.611 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -70.15 -32.96 71.18 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 132.37 -135.01 7.89 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.388 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.761 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 34.3 m0 71.39 155.64 0.15 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.681 0.753 . . . . 0.0 112.653 176.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 2.1 mp0 -87.83 116.98 67.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.238 -175.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 11.9 Cg_exo -71.93 114.31 3.93 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.678 2.252 . . . . 0.0 111.465 175.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.1 m -116.61 164.95 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.001 0.429 . . . . 0.0 111.519 -177.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -120.03 176.88 5.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.617 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.17 -32.45 72.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.096 0.474 . . . . 0.0 110.756 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 p -93.94 -3.53 51.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.21 -176.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.4 p -125.21 -9.3 7.03 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 31' ' ' ILE . 7.9 p -64.53 -42.38 95.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -175.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -76.17 -31.66 58.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.698 0.285 . . . . 0.0 110.448 -176.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -63.67 -39.43 94.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.449 0.642 . . . . 0.0 109.62 175.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -64.25 -49.68 70.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.451 175.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 27' ' ' VAL . 93.9 mt -58.47 -41.37 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.991 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -55.48 -36.54 66.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.722 179.457 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.6 ttt85 -80.21 -47.2 15.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.048 0.451 . . . . 0.0 111.098 -176.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.9 m -71.55 -41.84 72.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.521 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.23 -57.59 5.03 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -121.52 106.79 11.72 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -175.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.6 177.78 39.36 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.903 -177.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 10.3 m -132.87 140.69 46.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.014 0.435 . . . . 0.0 111.151 -178.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.4 HG13 ' HB3' ' A' ' 73' ' ' ALA . 4.3 mp -116.24 133.12 63.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.135 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.528 HD21 HG12 ' A' ' 58' ' ' ILE . 65.2 mt -96.97 128.79 44.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.032 175.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.4 mt -81.22 169.93 16.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.528 178.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.875 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.273 0 O-C-N 123.867 0.729 . . . . 0.0 110.934 179.318 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 50.6 t . . . . . 0 C--O 1.233 0.2 0 CA-C-O 121.321 0.581 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -66.49 -12.54 57.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.6 -175.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.528 HG12 HD21 ' A' ' 40' ' ' LEU . 2.0 mp -59.59 -30.87 45.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.52 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.53 -39.26 93.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.049 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.579 ' OE1' ' HD2' ' A' ' 63' ' ' ARG . 4.3 tp10 -68.9 -34.88 76.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.224 0.535 . . . . 0.0 110.01 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -67.56 -51.01 55.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.061 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.46 ' HG ' ' HB2' ' A' ' 70' ' ' TRP . 6.8 tt -55.02 -46.94 75.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.151 -178.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.579 ' HD2' ' OE1' ' A' ' 60' ' ' GLU . 7.0 ptp180 -73.58 -8.63 56.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.53 -175.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -82.93 -14.8 53.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.04 0.448 . . . . 0.0 110.344 -178.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -112.17 83.5 5.12 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 96.7 Cg_endo -83.98 44.63 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.049 2.499 . . . . 0.0 112.98 -172.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -127.81 -46.22 1.42 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.335 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.527 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 13.5 m-85 -92.23 143.2 26.66 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 174.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -91.34 91.5 8.18 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 169.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.527 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 30.4 m95 -75.88 138.39 41.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.182 0.515 . . . . 0.0 111.077 -173.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -103.11 130.76 50.37 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 170.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.761 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 17.8 t -100.3 123.79 53.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.4 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -110.31 156.17 21.09 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.342 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.0 m -120.06 133.84 65.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.036 0.446 . . . . 0.0 110.67 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.9 133.75 43.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.409 178.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -59.73 153.85 19.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.044 178.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.875 ' HA ' ' HB2' ' A' ' 42' ' ' SER . 21.7 mt -56.15 -50.69 70.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.987 -177.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -72.41 -40.37 67.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.466 -178.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -62.33 -28.24 69.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.693 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.536 ' CB ' ' HB3' ' A' ' 42' ' ' SER . 57.8 m -62.9 -21.38 65.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.715 -179.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -58.38 -52.25 66.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.018 0.437 . . . . 0.0 110.396 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.46 -41.36 39.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.892 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 75.6 mt -63.2 -48.21 88.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.606 -177.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.29 -39.36 97.1 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.178 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -68.21 -39.39 82.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.161 0.505 . . . . 0.0 110.46 178.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -61.82 -33.19 73.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.338 -177.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -99.04 5.01 47.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.625 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 65.35 27.91 11.88 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.72 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.619 HG21 HD11 ' A' ' 96' ' ' LEU . 5.9 t -93.6 1.67 9.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.917 0.865 . . . . 0.0 108.785 175.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.424 ' N ' ' HD2' ' A' ' 90' ' ' ARG . 1.3 mpt_? 66.07 -87.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.396 -1.275 . . . . 0.0 110.951 179.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 91' ' ' ARG . 41.1 ttm105 -167.3 29.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.491 0.662 . . . . 0.0 109.554 -177.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -107.48 142.17 24.57 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.647 -178.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -55.14 120.3 7.96 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 123.004 2.47 . . . . 0.0 112.425 177.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -163.08 145.92 10.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.356 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.7 m -85.44 131.64 34.35 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.619 HD11 HG21 ' A' ' 89' ' ' VAL . 3.7 mm? -90.48 124.33 34.9 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.945 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.1 t -97.87 110.35 25.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.918 -178.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -114.13 136.13 53.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.332 0.587 . . . . 0.0 111.361 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.8 m -151.54 146.86 26.18 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 176.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 65.08 14.89 9.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.486 0.491 . . . . 0.0 110.411 -173.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 70.48 17.53 74.64 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.031 -172.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -127.02 154.18 44.97 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.662 0.268 . . . . 0.0 110.322 -175.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 61.5 tp -72.69 120.03 17.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.058 0.456 . . . . 0.0 111.087 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.775 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -93.4 -49.51 5.89 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.933 178.222 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 178.05 -170.53 42.78 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.63 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -123.81 146.64 48.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.968 0.414 . . . . 0.0 110.606 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.323 -0.56 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 . . . . . 0 C--O 1.233 0.191 0 CA-C-O 121.324 0.583 . . . . 0.0 109.707 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.442 ' O ' HD23 ' A' ' 116' ' ' LEU . 6.1 tt -57.4 -33.67 68.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.603 175.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 87.0 mt -55.38 -48.09 74.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.785 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.9 m -69.0 -39.34 79.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.385 0.612 . . . . 0.0 110.845 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 119' ' ' LEU . 0.9 OUTLIER -68.88 -49.73 55.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.739 -175.071 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -59.97 -36.32 76.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.224 -0.443 . . . . 0.0 112.012 -175.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -67.66 -35.69 79.34 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.017 0.437 . . . . 0.0 111.333 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.7 m -65.08 -30.21 71.15 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.186 176.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 67.4 mt -74.72 -46.43 41.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.009 0.433 . . . . 0.0 110.618 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.4 m -84.64 33.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.234 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.1 t70 . . . . . 0 C--N 1.326 -0.422 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.005 179.466 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 . . . . . 0 CA--C 1.533 0.321 0 N-CA-C 112.61 0.596 . . . . 0.0 112.61 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.503 ' HG2' HD22 ' A' ' 14' ' ' LEU . 16.1 ptt180 -60.98 -31.9 71.48 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.09 -176.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.503 HD22 ' HG2' ' A' ' 13' ' ' ARG . 2.8 mm? -73.65 -40.53 63.66 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.052 0.453 . . . . 0.0 110.154 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.8 mt -63.96 -40.95 97.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.04 178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.4 m -66.52 -26.11 67.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.227 -179.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 17' ' ' ARG . 24.6 ttt180 -78.09 -5.64 52.16 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.982 -176.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.95 16.72 7.2 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.883 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.415 ' CH2' ' HA ' ' A' ' 56' ' ' VAL . 49.7 m0 -99.43 133.26 44.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.94 0.37 . . . . 0.0 110.776 177.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.409 HE21 ' HB2' ' A' ' 20' ' ' GLN . 1.8 mp0 -92.12 122.97 64.01 Favored Pre-proline 0 N--CA 1.448 -0.565 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.738 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.426 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 72.5 Cg_endo -79.3 103.65 1.65 Allowed 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.374 2.049 . . . . 0.0 111.133 174.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.4 m -92.36 176.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.39 0.614 . . . . 0.0 112.077 -172.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.536 ' HB2' HG22 ' A' ' 26' ' ' THR . 43.0 mt-10 -113.47 175.0 5.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.472 -179.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.11 -18.52 57.89 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.029 0.442 . . . . 0.0 110.805 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 p -89.14 -52.98 4.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.418 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.536 HG22 ' HB2' ' A' ' 23' ' ' GLU . 13.0 t -71.68 -23.17 61.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.89 -174.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.6 p -62.67 -35.05 68.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -174.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -65.25 -50.73 64.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.023 0.44 . . . . 0.0 110.534 -176.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.48 -37.45 80.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.652 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -56.14 -49.28 74.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.681 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.4 mt -63.88 -42.43 95.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -59.91 -38.64 82.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.311 0.577 . . . . 0.0 109.864 177.281 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 33' ' ' ARG . 11.0 ttt180 -69.59 -47.49 63.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.546 -176.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.6 m -80.05 -39.87 19.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.468 -176.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.22 -50.82 4.04 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.995 -0.622 . . . . 0.0 111.929 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -117.87 131.29 56.56 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.33 177.73 40.7 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.117 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.7 m -134.84 133.25 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.983 0.42 . . . . 0.0 110.955 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 39' ' ' ILE . 3.4 mp -109.31 128.22 65.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.566 178.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.562 ' HB2' HG12 ' A' ' 74' ' ' VAL . 4.3 mm? -104.47 131.12 52.22 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.252 178.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.605 ' HB2' ' HB2' ' A' ' 93' ' ' PRO . 56.8 mt -91.34 164.3 13.9 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 CA--C 1.539 0.534 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -172.064 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.415 ' HA ' ' CH2' ' A' ' 19' ' ' TRP . 9.4 p . . . . . 0 CA--C 1.534 0.351 0 CA-C-O 121.321 0.581 . . . . 0.0 110.679 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.539 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 2.2 mpt? -83.85 1.8 41.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.85 177.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.423 HG13 HD13 ' A' ' 62' ' ' LEU . 10.0 tp -63.7 -21.48 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.147 0.498 . . . . 0.0 110.885 -176.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.56 ' O ' ' HG3' ' A' ' 63' ' ' ARG . . . -61.0 -43.2 99.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.726 -177.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 57' ' ' MET . 16.2 pt-20 -70.94 -30.06 66.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.756 0.312 . . . . 0.0 110.74 -176.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 61' ' ' LEU . 1.4 tm? -65.74 -49.39 68.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.313 0.578 . . . . 0.0 109.812 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.423 HD13 HG13 ' A' ' 58' ' ' ILE . 9.2 mp -61.46 -22.59 65.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.589 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' ' 59' ' ' ALA . 75.3 mtp180 -71.24 -11.8 61.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.423 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -88.27 -8.08 55.76 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 120.941 0.4 . . . . 0.0 110.207 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -126.85 65.19 61.95 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.18 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -77.44 7.13 3.94 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.586 2.191 . . . . 0.0 112.719 -173.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -68.83 -44.45 73.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.11 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.59 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 8.9 m-85 -96.23 162.31 13.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.232 -175.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -96.35 83.76 3.61 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.59 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 63.0 m95 -70.51 139.89 51.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.068 -175.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -130.29 124.27 31.99 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.436 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.8 t -96.13 127.3 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.226 -174.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.02 149.54 48.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.689 176.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.562 HG12 ' HB2' ' A' ' 40' ' ' LEU . 26.0 m -129.09 164.61 31.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.766 0.317 . . . . 0.0 111.062 -176.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.54 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -123.41 130.02 52.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.12 177.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.507 ' HB3' HD12 ' A' ' 77' ' ' LEU . 5.9 m-20 -61.08 -82.02 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 O-C-N 123.407 0.442 . . . . 0.0 112.005 -176.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.507 HD12 ' HB3' ' A' ' 76' ' ' ASP . 5.9 mp -132.4 -78.98 0.5 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.582 -178.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -61.06 -32.1 71.75 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.341 -177.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.54 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 22.4 mp0 -56.92 -38.87 73.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.513 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . 0.493 ' HA ' HD22 ' A' ' 41' ' ' LEU . 49.6 m -61.85 -36.94 82.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.821 0.344 . . . . 0.0 110.73 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.25 -41.82 84.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.198 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.31 -45.64 25.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.531 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 72.0 mt -64.66 -43.05 96.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.784 -178.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.4 -52.07 53.9 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.858 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.27 -31.11 71.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.704 0.287 . . . . 0.0 110.838 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 30.7 tpt180 -54.82 -40.02 69.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.744 176.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -99.54 2.84 45.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.906 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . 0.482 HD22 ' N ' ' A' ' 88' ' ' ASN . 0.9 OUTLIER 68.46 24.16 7.23 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.961 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.669 HG21 HD11 ' A' ' 96' ' ' LEU . 99.8 t -92.67 102.82 14.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.073 175.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -127.93 -12.59 5.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.237 -174.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 99.5 mtt180 -105.12 98.41 8.12 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.421 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 71.1 m-85 70.52 121.77 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.33 0 O-C-N 123.931 0.769 . . . . 0.0 110.834 -172.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.605 ' HB2' ' HB2' ' A' ' 41' ' ' LEU . 12.3 Cg_endo -56.48 -82.6 0.01 OUTLIER 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 123.093 2.529 . . . . 0.0 112.451 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 78.69 178.17 0.13 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.414 0.626 . . . . 0.0 112.09 166.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 106' ' ' ALA . 4.7 m -84.37 125.31 32.19 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.882 177.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.669 HD11 HG21 ' A' ' 89' ' ' VAL . 3.3 mm? -90.85 123.75 34.63 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 175.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . 0.661 HG11 HG21 ' A' ' 123' ' ' ILE . 38.5 t -99.86 109.37 24.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.79 -174.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -110.83 131.4 55.08 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.848 177.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.06 131.39 14.63 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.464 178.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.5 t70 65.02 20.12 12.02 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.822 0.82 . . . . 0.0 110.203 -177.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.4 7.49 78.46 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.606 -0.806 . . . . 0.0 111.968 -174.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -98.57 144.06 28.29 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 46.6 tp -93.26 109.94 21.46 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -81.46 -30.31 33.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.145 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 141.32 -172.85 23.65 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.996 177.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 95' ' ' THR . . . -98.76 172.67 7.31 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 177.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.438 HD11 ' HG ' ' A' ' 116' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-O 121.057 0.456 . . . . 0.0 109.842 -178.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 . . . . . 0 C--O 1.235 0.334 0 CA-C-O 120.866 0.365 . . . . 0.0 111.675 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.438 ' HG ' HD11 ' A' ' 107' ' ' LEU . 0.8 OUTLIER -55.52 -38.07 68.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.893 -176.473 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.94 -46.11 71.44 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 111.223 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.7 m -75.64 -42.68 50.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.717 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -62.31 -49.16 76.72 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.017 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -61.13 -37.08 81.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.404 -174.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -69.34 -37.61 77.76 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 120.874 0.369 . . . . 0.0 111.177 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.6 t -65.99 -29.37 69.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.173 0.511 . . . . 0.0 110.157 177.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.661 HG21 HG11 ' A' ' 97' ' ' VAL . 78.7 mt -74.83 -47.3 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.173 178.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 35.1 m -86.61 25.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.014 0.435 . . . . 0.0 111.72 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.8 t70 . . . . . 0 C--O 1.234 0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.678 178.258 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 . . . . . 0 CA--C 1.536 0.405 0 N-CA-C 112.549 0.574 . . . . 0.0 112.549 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.507 ' O ' HG22 ' A' ' 16' ' ' THR . 1.2 ppt_? -63.94 -26.38 68.57 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -176.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.25 -30.77 60.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.087 0.47 . . . . 0.0 110.265 175.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.6 mt -74.97 -25.82 59.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.975 -175.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.507 HG22 ' O ' ' A' ' 13' ' ' ARG . 7.2 t -57.05 -24.92 57.37 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.183 -174.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -71.54 -6.9 44.09 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.1 0.476 . . . . 0.0 111.528 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.95 17.02 11.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.53 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 48.4 m0 -88.71 135.93 33.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.784 0.326 . . . . 0.0 110.38 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -99.09 122.73 51.45 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.911 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -76.28 115.23 4.06 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.308 2.006 . . . . 0.0 111.364 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.6 m -101.45 163.48 3.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 -177.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.54 ' HB2' HG22 ' A' ' 26' ' ' THR . 35.6 mt-10 -96.88 -174.87 3.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.14 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.55 -21.72 44.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.214 0.53 . . . . 0.0 110.449 176.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 p -94.87 -59.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.331 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.54 HG22 ' HB2' ' A' ' 23' ' ' GLU . 13.6 t -67.04 -14.51 62.97 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.95 -173.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.475 HG11 HG12 ' A' ' 83' ' ' ILE . 11.4 p -62.81 -38.7 82.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.033 -178.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -69.02 -43.02 75.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.383 0.611 . . . . 0.0 109.878 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.67 -40.34 88.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.554 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -57.15 -51.54 68.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.481 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.513 ' HA ' HG22 ' A' ' 34' ' ' VAL . 94.7 mt -61.41 -41.77 91.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.82 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -60.84 -31.96 71.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.628 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.469 ' C ' ' HD3' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -80.85 -45.88 16.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -178.835 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.513 HG22 ' HA ' ' A' ' 31' ' ' ILE . 21.3 m -79.45 -39.36 20.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.151 -174.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.56 -48.6 3.22 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.362 -0.447 . . . . 0.0 113.002 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -119.88 125.88 49.56 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 122.328 0.251 . . . . 0.0 110.714 -175.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.56 ' HA2' ' HB3' ' A' ' 70' ' ' TRP . . . 163.83 175.11 34.41 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.98 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.0 m -130.89 141.34 46.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.79 0.329 . . . . 0.0 110.405 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.408 ' N ' HD12 ' A' ' 39' ' ' ILE . 3.4 mp -110.65 126.19 67.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.223 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.575 HD21 HD13 ' A' ' 58' ' ' ILE . 78.6 mt -97.73 122.41 40.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.396 177.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.4 mt -87.31 160.0 18.57 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 174.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.8 t . . . . . 0 C--N 1.324 -0.528 0 CA-C-O 120.822 0.344 . . . . 0.0 110.08 176.77 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 p . . . . . 0 C--O 1.233 0.236 0 CA-C-O 121.47 0.652 . . . . 0.0 110.014 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.607 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 85.5 mtp -87.72 -4.28 58.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.655 -178.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.575 HD13 HD21 ' A' ' 40' ' ' LEU . 15.1 tt -68.56 -13.32 16.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.338 0.589 . . . . 0.0 110.31 178.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.603 ' O ' ' HG3' ' A' ' 63' ' ' ARG . . . -58.09 -46.91 84.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.874 177.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' A' ' 57' ' ' MET . 12.6 pt-20 -68.94 -28.87 67.03 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.721 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.667 HD21 HD22 ' A' ' 116' ' ' LEU . 2.1 tm? -58.48 -51.27 70.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.754 175.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.428 ' HA ' HD13 ' A' ' 62' ' ' LEU . 4.2 mm? -63.59 -22.37 66.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.519 178.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.603 ' HG3' ' O ' ' A' ' 59' ' ' ALA . 43.4 mtp180 -77.3 -0.93 27.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.704 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . 0.49 ' HG3' HD11 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -80.1 -18.37 50.12 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 175.551 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -126.2 58.52 25.59 Favored Pre-proline 0 N--CA 1.453 -0.32 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.798 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -81.19 42.23 1.3 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.208 1.938 . . . . 0.0 111.461 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -97.21 -45.37 6.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.062 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.5 ' HD2' ' NE1' ' A' ' 70' ' ' TRP . 25.8 m-85 -88.57 -35.13 17.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.242 174.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.6 t70 57.82 89.91 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.229 -170.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.56 ' HB3' ' HA2' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -89.91 158.25 17.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.018 -163.714 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -97.03 123.43 40.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.693 0.283 . . . . 0.0 110.45 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.2 t -96.17 127.63 48.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.737 0.303 . . . . 0.0 110.72 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.89 153.86 37.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.267 177.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.555 HG12 ' HB2' ' A' ' 40' ' ' LEU . 27.3 m -129.31 165.54 29.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.08 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.39 136.93 54.99 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . 0.422 ' HB2' ' OE1' ' A' ' 79' ' ' GLN . 5.4 m-20 -64.41 -87.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.322 0.389 . . . . 0.0 111.701 -175.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp -130.38 -81.84 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.253 -0.279 . . . . 0.0 111.182 -178.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -59.3 -31.18 68.89 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.218 0.532 . . . . 0.0 110.807 -178.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.47 ' CG ' ' HA ' ' A' ' 23' ' ' GLU . 24.1 mp0 -54.19 -50.4 67.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.63 178.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.1 m -54.19 -43.67 70.91 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.528 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -60.45 -44.62 95.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.793 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.29 -32.77 55.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.549 -177.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.475 HG12 HG11 ' A' ' 27' ' ' VAL . 68.9 mt -66.7 -41.86 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.109 -178.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.96 -36.09 92.34 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.563 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -67.32 -44.99 77.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.341 . . . . 0.0 110.201 176.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -57.04 -42.59 80.76 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.545 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . 0.661 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 22.6 m-30 -86.28 -6.76 58.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.312 -176.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 61.48 37.64 16.42 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.19 0.519 . . . . 0.0 110.699 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.6 p -99.18 4.64 10.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.708 0.766 . . . . 0.0 109.449 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.645 ' HG2' ' H ' ' A' ' 91' ' ' ARG . 59.8 ttt180 70.24 176.65 0.28 Allowed 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.785 -176.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.645 ' H ' ' HG2' ' A' ' 90' ' ' ARG . 74.8 mtp180 -89.6 73.67 7.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.982 0.42 . . . . 0.0 111.117 -174.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -142.11 150.07 54.41 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.219 177.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 11.3 Cg_exo -70.02 114.56 3.78 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.405 2.07 . . . . 0.0 111.823 176.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . 0.51 ' HB1' ' HB1' ' A' ' 106' ' ' ALA . . . -150.49 148.32 28.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.339 -177.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.8 m -86.96 120.67 28.47 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 175.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.661 ' HG ' ' CD2' ' A' ' 87' ' ' PHE . 3.7 mm? -91.99 124.73 36.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.958 0.408 . . . . 0.0 110.227 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.6 t -99.55 117.26 44.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.798 -176.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -116.85 132.51 56.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.048 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.1 p -133.87 121.8 22.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.227 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.2 t70 58.75 21.63 9.14 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.527 0.517 . . . . 0.0 111.674 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.71 -9.66 73.3 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.774 -176.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -94.24 144.19 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.06 0.43 . . . . 0.0 110.129 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 65.6 tp -89.13 130.05 35.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.8 0.333 . . . . 0.0 110.271 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.667 ' HA ' ' NE ' ' A' ' 104' ' ' ARG . 2.3 mmp_? -92.42 -27.45 17.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.051 0.453 . . . . 0.0 110.392 176.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 131.2 -162.17 23.6 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.982 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . 0.51 ' HB1' ' HB1' ' A' ' 94' ' ' ALA . . . -99.35 152.01 20.43 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 107' ' ' LEU . 0.8 OUTLIER . . . . . 0 C--N 1.32 -0.692 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -178.402 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 . . . . . 0 CA--C 1.522 -0.126 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.667 HD22 HD21 ' A' ' 61' ' ' LEU . 7.3 tt -59.02 -38.76 80.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.061 178.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . 0.49 HD11 ' HG3' ' A' ' 64' ' ' GLU . 3.3 mm? -59.82 -51.0 71.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.361 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.1 m -58.94 -47.27 85.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.304 -178.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.96 -49.79 59.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.377 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 27.2 ttt -67.43 -45.17 76.87 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -175.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.504 ' HA ' HG22 ' A' ' 124' ' ' VAL . 54.2 mtt-85 -64.26 -36.45 84.15 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 111.353 -176.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.7 t -60.04 -35.09 74.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.724 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.505 HG22 ' HB3' ' A' ' 104' ' ' ARG . 71.8 mt -78.58 -37.6 21.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.185 -178.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 121' ' ' ARG . 35.1 m -89.08 9.27 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 111.6 -177.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.8 t70 . . . . . 0 C--N 1.327 -0.394 0 CA-C-O 121.079 0.466 . . . . 0.0 110.618 179.214 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 . . . . . 0 N--CA 1.454 -0.264 0 N-CA-C 111.736 0.273 . . . . 0.0 111.736 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 13' ' ' ARG . 22.4 mmt180 -59.37 -43.66 92.83 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.1 mt -65.42 -47.08 77.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.565 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.441 HD22 ' HG3' ' A' ' 21' ' ' PRO . 84.8 mt -59.74 -39.99 86.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.734 179.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.6 m -67.63 -26.79 66.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.851 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 ttp85 -77.3 -43.75 32.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.96 0.409 . . . . 0.0 110.123 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.5 -148.63 20.03 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.866 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.607 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 33.5 m0 68.97 154.28 0.11 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.491 0.662 . . . . 0.0 112.246 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -91.19 123.85 63.18 Favored Pre-proline 0 N--CA 1.45 -0.461 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.76 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.441 ' HG3' HD22 ' A' ' 15' ' ' LEU . 5.1 Cg_exo -79.05 111.53 2.94 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.827 2.351 . . . . 0.0 111.302 175.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.2 m -105.72 156.1 6.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.192 0.52 . . . . 0.0 111.616 -176.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.63 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 33.8 mt-10 -105.54 -178.83 3.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.464 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.29 -9.67 59.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.195 0.521 . . . . 0.0 110.046 174.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.8 t -99.67 -59.13 1.78 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.008 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.2 t -82.64 6.31 18.2 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -173.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.63 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.5 p -63.38 -51.59 68.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -175.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -74.54 -17.85 60.68 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 122.207 -0.308 . . . . 0.0 111.239 -178.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . 0.599 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 32.8 t70 -75.28 -37.06 61.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.257 0.551 . . . . 0.0 109.668 175.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -66.48 -47.53 72.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.748 174.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 27' ' ' VAL . 94.7 mt -58.42 -44.32 88.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.864 -178.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -62.75 -27.47 69.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -177.074 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -81.5 -46.27 14.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.246 0.546 . . . . 0.0 111.049 -176.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.565 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 35.4 m -78.07 -40.43 26.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.298 -177.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.57 -57.81 5.01 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 111.85 -0.5 . . . . 0.0 111.85 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 70' ' ' TRP . 46.5 m-20 -113.27 107.88 16.5 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -177.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.97 167.08 35.86 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 119.707 -1.235 . . . . 0.0 112.874 -175.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 7.9 m -132.76 127.98 56.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.031 0.443 . . . . 0.0 110.632 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.596 ' HB ' ' HB2' ' A' ' 96' ' ' LEU . 4.1 mp -96.83 116.02 37.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.873 178.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.47 HD23 HG23 ' A' ' 95' ' ' THR . 53.7 mt -83.51 118.44 23.78 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 174.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.7 mt -68.31 164.19 21.3 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.9 t . . . . . 0 C--N 1.327 -0.378 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.784 -176.026 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.457 ' O ' ' HB2' ' A' ' 57' ' ' MET . 26.7 m . . . . . 0 N--CA 1.45 -0.465 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.457 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 24.2 mmt 72.67 -3.07 2.46 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.627 0.579 . . . . 0.0 111.848 -178.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.9 tp -80.66 -16.28 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.209 0.528 . . . . 0.0 110.055 175.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.19 -28.4 66.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.716 -173.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.491 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 0.1 OUTLIER -71.28 -29.17 64.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.706 0.288 . . . . 0.0 111.304 -177.22 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -53.86 -48.27 70.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.837 0.827 . . . . 0.0 109.907 176.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -58.7 -33.98 70.8 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.391 -1.277 . . . . 0.0 112.207 -178.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.491 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 10.7 ptp180 -89.7 15.62 9.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.056 0.455 . . . . 0.0 111.304 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.35 -8.21 53.68 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 169.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -124.1 78.3 59.37 Favored Pre-proline 0 N--CA 1.452 -0.332 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.709 -178.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -81.31 41.33 1.12 Allowed 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.156 1.904 . . . . 0.0 111.254 178.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 81.2 mt-30 -110.12 -24.41 10.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.433 -178.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . 0.448 ' CD2' ' CZ2' ' A' ' 70' ' ' TRP . 1.9 m-85 -119.49 -179.67 3.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.729 173.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -125.64 93.66 3.91 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 170.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . 0.448 ' CZ2' ' CD2' ' A' ' 68' ' ' PHE . 19.1 m95 -79.91 139.39 37.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.019 -168.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . 0.565 ' OE1' ' HB ' ' A' ' 34' ' ' VAL . 27.6 mp0 -111.48 128.19 55.93 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.031 169.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.607 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 22.5 t -99.5 134.9 37.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 120.898 0.38 . . . . 0.0 110.412 -178.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.75 161.57 27.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.823 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.7 m -134.53 165.61 30.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.618 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.93 148.55 43.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.041 -178.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.65 174.27 1.06 Allowed 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.545 0.528 . . . . 0.0 111.501 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.7 mt -57.42 -40.87 79.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.061 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -77.29 -48.14 18.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.613 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -61.18 -32.07 71.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.336 -175.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.4 p -65.92 -34.43 78.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -176.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -73.97 -41.88 61.31 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.015 176.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.62 -46.1 91.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.898 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.2 mt -67.5 -35.77 74.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.411 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.8 -35.93 90.95 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.001 -0.618 . . . . 0.0 111.843 175.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -76.77 -37.34 56.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.098 0.475 . . . . 0.0 110.546 177.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -54.61 -42.54 71.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.641 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -102.1 -0.92 32.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.662 0.268 . . . . 0.0 110.91 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 58.32 54.73 5.48 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.448 0.642 . . . . 0.0 110.802 -178.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.403 HG22 HD11 ' A' ' 96' ' ' LEU . 21.8 t -76.25 -15.09 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.739 -177.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 91' ' ' ARG . 14.5 tpp85 72.15 21.79 3.83 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.332 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' A' ' 90' ' ' ARG . 86.6 mtt180 72.01 -168.1 0.14 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.959 177.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.415 ' H ' ' HB3' ' A' ' 91' ' ' ARG . 97.5 m-85 73.32 145.34 0.11 Allowed Pre-proline 0 N--CA 1.468 0.453 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.111 -176.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 28.7 Cg_endo -63.21 124.85 14.59 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.647 2.231 . . . . 0.0 112.61 179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -162.01 153.47 18.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.16 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.47 HG23 HD23 ' A' ' 40' ' ' LEU . 15.9 m -90.85 134.05 34.75 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.344 174.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.596 ' HB2' ' HB ' ' A' ' 39' ' ' ILE . 3.8 mm? -90.46 124.14 34.73 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.535 177.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 42.3 t -99.03 116.01 41.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.474 -174.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -120.74 136.13 54.96 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.779 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.2 p -140.15 133.47 29.85 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.16 14.37 2.0 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.811 0.844 . . . . 0.0 112.433 -179.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.75 -8.08 68.18 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.285 -177.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -97.57 144.8 26.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.997 0.427 . . . . 0.0 111.76 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.4 tp -76.57 131.14 38.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.377 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.544 ' HB3' ' CG2' ' A' ' 123' ' ' ILE . 1.9 mmp_? -100.27 -34.85 9.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.697 176.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 150.6 -161.28 28.93 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.52 -0.847 . . . . 0.0 112.295 178.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -117.97 138.15 52.37 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.438 ' HB3' ' HB ' ' A' ' 95' ' ' THR . 44.4 tp . . . . . 0 C--N 1.322 -0.598 0 CA-C-O 121.142 0.496 . . . . 0.0 110.047 -176.414 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 . . . . . 0 N--CA 1.455 -0.223 0 CA-C-O 121.269 0.557 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.3 tt -57.9 -38.44 75.84 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.168 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 89.0 mt -54.44 -54.91 34.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.008 -178.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 48.1 m -65.2 -43.33 91.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.203 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -61.4 -49.74 75.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.456 -177.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . 0.494 ' O ' HG22 ' A' ' 124' ' ' VAL . 14.5 tpt -64.48 -46.87 81.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.094 -178.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -64.03 -30.34 71.42 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.052 0.453 . . . . 0.0 111.303 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.1 t -59.47 -31.03 68.96 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.877 175.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.544 ' CG2' ' HB3' ' A' ' 104' ' ' ARG . 50.0 mt -91.49 -48.79 13.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.265 -177.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 120' ' ' MET . 28.4 m -89.37 35.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.089 0.471 . . . . 0.0 111.378 -177.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.4 t70 . . . . . 0 N--CA 1.466 0.368 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.072 -176.765 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 . . . . . 0 CA--C 1.536 0.407 0 N-CA-C 111.79 0.293 . . . . 0.0 111.79 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -59.8 -38.39 81.81 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.723 0.297 . . . . 0.0 111.582 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.64 HD13 HG11 ' A' ' 74' ' ' VAL . 53.9 mt -66.4 -41.01 89.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.922 0.392 . . . . 0.0 110.142 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.28 -34.65 76.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.709 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.1 m -61.36 -27.44 68.52 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.467 -177.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -88.4 4.37 46.56 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.765 0.316 . . . . 0.0 111.634 -177.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.61 25.26 47.27 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.887 -0.673 . . . . 0.0 113.24 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' TRP . . . . . 0.451 ' HE3' HG21 ' A' ' 74' ' ' VAL . 53.3 m0 -84.94 141.74 30.15 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.11 0.481 . . . . 0.0 111.148 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -89.22 136.14 30.56 Favored Pre-proline 0 N--CA 1.447 -0.599 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.872 -177.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 73.3 Cg_endo -82.97 118.43 2.71 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.399 2.066 . . . . 0.0 111.637 173.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.466 HG13 ' HB1' ' A' ' 73' ' ' ALA . 12.9 m -104.45 155.35 6.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.898 0.38 . . . . 0.0 111.105 -178.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . 0.588 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 49.5 mt-10 -125.23 172.38 9.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.662 -177.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.58 -23.9 63.61 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -173.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.1 t -94.35 -14.12 25.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.713 0.292 . . . . 0.0 111.653 -176.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.53 HG22 ' HB2' ' A' ' 23' ' ' GLU . 8.4 t -121.08 -8.36 9.31 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.555 -0.458 . . . . 0.0 111.896 -176.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.5 ' O ' HG13 ' A' ' 31' ' ' ILE . 7.7 p -59.11 -46.02 92.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 121.282 -0.167 . . . . 0.0 111.4 -176.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -70.46 -30.36 67.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 0.0 110.607 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -73.95 -36.73 64.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.181 0.515 . . . . 0.0 110.209 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -65.95 -44.04 86.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.932 175.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 27' ' ' VAL . 87.9 mt -59.4 -40.41 81.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.27 176.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -61.15 -31.24 70.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.787 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 33' ' ' ARG . 2.2 tmm_? -79.89 -44.51 20.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -176.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.2 m -85.91 -41.59 15.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.182 -175.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.479 ' HA2' ' HA2' ' A' ' 101' ' ' GLY . . . 82.37 -52.51 4.67 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.727 -176.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -126.11 133.66 51.57 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.825 0.345 . . . . 0.0 110.093 -176.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.4 -171.68 40.74 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.067 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.3 m -136.06 137.19 48.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.232 0.539 . . . . 0.0 111.356 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.44 HD13 ' CD2' ' A' ' 98' ' ' PHE . 2.5 mp -106.32 125.35 62.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.224 175.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.502 HD21 HG12 ' A' ' 58' ' ' ILE . 71.6 mt -98.1 123.48 42.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.49 -178.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.63 159.91 25.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.98 0.419 . . . . 0.0 110.787 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.6 t . . . . . 0 C--N 1.323 -0.564 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.341 -179.64 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.436 ' O ' ' HB3' ' A' ' 57' ' ' MET . 27.6 m . . . . . 0 N--CA 1.452 -0.325 0 N-CA-C 110.661 -0.126 . . . . 0.0 110.661 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' MET . . . . . 0.436 ' HB3' ' O ' ' A' ' 56' ' ' VAL . 56.8 ttp 81.47 -13.27 0.91 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.888 0.875 . . . . 0.0 110.62 -179.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.502 HG12 HD21 ' A' ' 40' ' ' LEU . 1.7 mp -71.28 -31.15 42.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.46 176.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.73 -55.27 32.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.866 0.365 . . . . 0.0 111.042 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.727 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 1.6 pm0 -63.45 -29.08 70.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.645 177.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.43 HD21 ' CD2' ' A' ' 116' ' ' LEU . 2.1 tm? -58.41 -45.15 88.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.323 0.582 . . . . 0.0 110.909 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 90.9 mt -48.94 -32.15 8.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.819 -1.082 . . . . 0.0 113.676 -174.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.727 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 14.7 ptt180 -74.39 -0.95 18.93 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -175.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.33 -30.52 33.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -118.3 88.31 32.59 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.225 -174.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -88.08 42.87 0.76 Allowed 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.697 2.265 . . . . 0.0 111.12 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -85.39 -41.56 15.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.098 -177.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.02 -178.73 7.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.632 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -88.7 107.2 18.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.766 0.317 . . . . 0.0 110.538 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -82.95 139.08 33.55 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.289 0.566 . . . . 0.0 110.596 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -121.88 139.94 53.02 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.153 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.5 t -112.86 132.17 62.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.981 0.42 . . . . 0.0 110.958 -173.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.466 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -133.86 146.6 50.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.99 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' VAL . . . . . 0.64 HG11 HD13 ' A' ' 14' ' ' LEU . 10.2 t -131.55 160.18 42.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.893 0.378 . . . . 0.0 110.886 -174.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . 0.508 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -121.35 143.07 49.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.732 174.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.22 -65.95 0.63 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 111.469 -176.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.586 HD12 ' N ' ' A' ' 78' ' ' GLU . 1.5 pp -165.74 -32.54 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.222 177.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLU . . . . . 0.586 ' N ' HD12 ' A' ' 77' ' ' LEU . 8.8 tp10 -67.22 -53.09 33.34 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.481 0.657 . . . . 0.0 110.619 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.588 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 10.0 mp0 -72.68 -37.36 67.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.432 -174.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.2 p -61.14 -37.0 81.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.333 -178.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -61.92 -42.29 98.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.223 0.535 . . . . 0.0 109.992 177.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.29 -49.31 28.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.011 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.36 -47.15 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.908 -176.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.29 -45.82 95.41 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.118 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -71.34 -32.04 68.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.934 0.397 . . . . 0.0 110.715 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -60.38 -49.06 79.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.097 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -87.25 -0.46 56.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.131 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 10.0 m120 64.32 27.78 13.76 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.134 175.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.432 HG21 HD11 ' A' ' 96' ' ' LEU . 47.2 t -87.89 78.38 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.132 0.492 . . . . 0.0 111.736 -172.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 51.92 -151.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.999 172.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ARG . . . . . 0.497 ' HD3' ' HA ' ' A' ' 91' ' ' ARG . 11.5 mmt180 -143.92 35.1 1.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.782 0.325 . . . . 0.0 111.353 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' PHE . . . . . 0.518 ' HB2' ' HD2' ' A' ' 93' ' ' PRO . 54.6 p90 -138.42 159.7 66.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' PRO . . . . . 0.518 ' HD2' ' HB2' ' A' ' 92' ' ' PHE . 11.7 Cg_endo -55.21 126.21 21.78 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.034 2.489 . . . . 0.0 112.651 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -152.01 136.25 16.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.203 -177.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.474 HG23 HD23 ' A' ' 40' ' ' LEU . 49.4 m -79.0 130.07 35.13 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 174.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.432 HD11 HG21 ' A' ' 89' ' ' VAL . 3.3 mm? -91.52 124.42 35.67 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 28.9 t -97.72 105.87 17.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.324 -176.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' PHE . . . . . 0.51 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 30.7 m-85 -106.16 132.0 52.74 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.779 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 p -155.28 148.23 24.53 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.204 -178.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.7 t70 66.14 19.75 11.13 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.366 0.603 . . . . 0.0 109.928 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' GLY . . . . . 0.479 ' HA2' ' HA2' ' A' ' 35' ' ' GLY . . . 77.41 4.46 84.36 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.544 -176.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -128.71 166.21 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.035 0.445 . . . . 0.0 111.289 -173.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.51 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 65.6 tp -91.01 133.52 35.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.155 178.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -102.14 -32.26 10.2 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.858 0.361 . . . . 0.0 110.679 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 159.63 -171.81 36.11 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.989 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -107.53 156.43 19.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.711 0.291 . . . . 0.0 110.272 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.514 HD11 ' HG ' ' A' ' 116' ' ' LEU . 31.3 tp . . . . . 0 C--N 1.322 -0.617 0 CA-C-O 121.216 0.531 . . . . 0.0 110.743 -177.693 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 . . . . . 0 CA--C 1.52 -0.196 0 CA-C-O 120.822 0.344 . . . . 0.0 110.866 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' LEU . . . . . 0.514 ' HG ' HD11 ' A' ' 107' ' ' LEU . 6.8 tt -50.25 -42.11 51.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.036 176.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.88 -56.23 24.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.711 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.1 m -58.63 -47.64 83.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.38 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' LEU . . . . . 0.457 ' O ' HG13 ' A' ' 123' ' ' ILE . 4.3 mm? -66.06 -49.91 66.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.742 -176.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 43.6 mtp -70.58 -33.88 71.57 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.784 -176.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.516 ' HA ' HG22 ' A' ' 124' ' ' VAL . 66.6 mtt180 -64.99 -36.49 84.57 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.711 177.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.3 t -67.51 -35.85 79.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.779 175.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 119' ' ' LEU . 75.4 mt -66.51 -46.13 87.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.087 178.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' VAL . . . . . 0.516 HG22 ' HA ' ' A' ' 121' ' ' ARG . 33.5 m -81.4 35.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.253 0.549 . . . . 0.0 111.636 -177.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.9 t70 . . . . . 0 C--N 1.326 -0.427 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.525 177.715 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 89.9 mtp . . . . . 0 N--CA 1.483 1.211 0 CA-C-O 120.713 0.292 . . . . 0.0 110.67 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.89 -160.33 0.78 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.715 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -105.59 7.5 32.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.472 -0.331 . . . . 0.0 111.066 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 37.2 t70 65.95 123.06 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.518 0 O-C-N 123.753 0.658 . . . . 0.0 110.764 -173.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.8 t -137.4 110.7 8.98 Favored Pre-proline 0 C--N 1.322 -0.629 0 CA-C-O 121.364 0.602 . . . . 0.0 111.921 -174.227 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 6.3 Cg_exo -80.23 104.01 1.6 Allowed 'Trans proline' 0 N--CA 1.456 -0.713 0 C-N-CA 122.929 2.419 . . . . 0.0 110.785 172.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -55.41 -40.52 71.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.076 -175.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.402 ' H ' ' HB3' ' A' ' 11' ' ' TRP . 63.9 p -157.56 175.37 14.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.584 0.231 . . . . 0.0 110.728 -179.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -67.89 -28.58 67.64 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.195 0.521 . . . . 0.0 110.253 175.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.43 ' H ' HD12 ' A' ' 10' ' ' LEU . 5.6 mp -70.42 -28.02 64.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.231 -0.895 . . . . 0.0 109.916 177.639 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.484 ' CZ3' ' HA ' ' A' ' 76' ' ' ASP . 52.7 t-105 -85.23 -50.76 7.1 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.285 -0.87 . . . . 0.0 111.192 178.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 63.0 tt0 -58.63 -24.6 61.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.816 -0.629 . . . . 0.0 112.507 -174.306 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.723 ' HG3' HD22 ' A' ' 14' ' ' LEU . 20.9 ptt180 -60.28 -29.87 69.1 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.811 178.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.723 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.8 mm? -70.59 -35.79 73.21 Favored 'General case' 0 CA--C 1.522 -0.1 0 CA-C-O 120.929 0.395 . . . . 0.0 110.103 176.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.3 mt -69.08 -26.61 65.03 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.156 179.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.9 m -67.96 -27.55 66.69 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.299 175.27 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.421 HH11 ' HD3' ' A' ' 17' ' ' ARG . 22.2 ttm-85 -82.08 -32.78 30.14 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 108.912 -0.773 . . . . 0.0 108.912 174.277 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 134.77 -146.46 18.47 Favored Glycine 0 N--CA 1.445 -0.722 0 CA-C-N 115.536 -0.757 . . . . 0.0 112.224 173.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.73 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 27.0 m0 68.58 158.31 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 123.908 0.883 . . . . 0.0 113.009 175.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -98.98 131.7 24.96 Favored Pre-proline 0 N--CA 1.449 -0.475 0 CA-C-N 115.251 -0.886 . . . . 0.0 111.001 -177.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -79.32 119.1 4.09 Favored 'Trans proline' 0 C--O 1.234 0.275 0 C-N-CA 122.322 2.015 . . . . 0.0 111.52 173.536 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.3 m -122.39 164.25 19.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.013 0.435 . . . . 0.0 111.988 -175.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.512 ' HB2' HG22 ' A' ' 26' ' ' THR . 45.1 mt-10 -111.88 174.42 5.88 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.884 -0.784 . . . . 0.0 108.884 176.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.03 -32.31 72.58 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 120.886 0.374 . . . . 0.0 110.736 177.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 41.3 t -80.85 -58.12 3.24 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.42 179.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.512 HG22 ' HB2' ' A' ' 23' ' ' GLU . 14.4 t -73.67 -6.18 45.18 Favored 'General case' 0 CA--C 1.534 0.347 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 -171.222 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.48 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.5 p -67.65 -26.54 35.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 N-CA-C 110.016 -0.365 . . . . 0.0 110.016 178.02 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -61.61 -53.25 58.8 Favored 'General case' 0 C--O 1.234 0.274 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.437 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -65.61 -35.87 82.07 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.905 178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -58.6 -50.54 73.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.525 178.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.461 HG13 ' O ' ' A' ' 27' ' ' VAL . 85.9 mt -58.97 -47.34 90.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.575 -178.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -62.38 -27.52 69.13 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.172 -177.321 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.526 ' O ' ' HD3' ' A' ' 33' ' ' ARG . 0.6 OUTLIER -81.61 -45.14 16.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.68 0.276 . . . . 0.0 110.634 -179.168 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.507 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 34.6 m -76.95 -39.31 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.525 -0.307 . . . . 0.0 111.761 -175.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.73 -56.57 5.04 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 121.108 -0.567 . . . . 0.0 112.257 178.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 20.1 m-20 -123.32 122.08 37.42 Favored 'General case' 0 C--N 1.316 -0.858 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 -176.101 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 177.52 -177.33 48.31 Favored Glycine 0 N--CA 1.441 -0.993 0 C-N-CA 120.071 -1.062 . . . . 0.0 112.827 -179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.447 ' HB ' ' CG2' ' A' ' 95' ' ' THR . 14.2 m -139.69 135.92 39.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-O 121.043 0.449 . . . . 0.0 110.605 -179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.401 ' N ' HD12 ' A' ' 39' ' ' ILE . 3.4 mp -102.63 125.39 56.95 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 177.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 57.3 mt -93.45 118.71 31.66 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.792 176.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.463 HD22 ' HA ' ' A' ' 80' ' ' SER . 88.5 mt -84.15 173.92 10.66 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 175.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.5 t -56.95 102.94 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 172.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.913 ' HA ' ' HB3' ' A' ' 93' ' ' PRO . 19.3 p -84.01 -104.13 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.429 0.529 . . . . 0.0 112.429 -170.2 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.437 ' CG ' ' H ' ' A' ' 54' ' ' ASN . 5.6 p-10 -90.21 123.59 65.36 Favored Pre-proline 0 C--N 1.32 -0.675 0 CA-C-O 121.312 0.577 . . . . 0.0 111.613 -172.697 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -81.91 172.85 11.66 Favored 'Trans proline' 0 N--CA 1.455 -0.773 0 C-N-CA 122.775 2.317 . . . . 0.0 111.801 175.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.401 HH11 ' HD2' ' A' ' 46' ' ' ARG . 4.7 ptp85 -70.28 153.75 42.7 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.675 179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.401 ' HA ' ' NE ' ' A' ' 47' ' ' ARG . 1.2 mmp_? -123.82 -105.49 0.36 Allowed 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 178.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.557 ' HB ' ' HD3' ' A' ' 49' ' ' PRO . 0.2 OUTLIER -144.66 -55.88 0.02 OUTLIER Pre-proline 0 C--N 1.323 -0.558 0 N-CA-C 109.143 -0.688 . . . . 0.0 109.143 174.477 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.557 ' HD3' ' HB ' ' A' ' 48' ' ' THR . 1.0 OUTLIER -86.11 174.42 6.28 Favored 'Trans proline' 0 C--N 1.352 0.73 0 C-N-CA 122.712 2.274 . . . . 0.0 110.694 168.343 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -84.11 51.09 1.98 Allowed 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.519 0.676 . . . . 0.0 111.221 -179.314 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 7.6 p -92.29 17.61 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.942 0.877 . . . . 0.0 109.629 177.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 14.5 p -72.44 177.15 4.78 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 115.293 -0.867 . . . . 0.0 110.955 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -113.1 -69.19 0.88 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.621 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.437 ' H ' ' CG ' ' A' ' 44' ' ' ASP . 0.9 OUTLIER 70.04 134.69 0.04 OUTLIER Pre-proline 0 N--CA 1.468 0.47 0 O-C-N 123.739 0.65 . . . . 0.0 110.734 -177.518 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_endo -66.67 93.06 0.31 Allowed 'Trans proline' 0 CA--C 1.53 0.314 0 C-N-CA 122.615 2.21 . . . . 0.0 113.36 -176.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 28.1 m -130.0 -21.97 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 115.81 -0.632 . . . . 0.0 110.767 176.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 23.4 ptt? -92.18 -4.97 53.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.044 0.449 . . . . 0.0 110.76 -176.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.0 tp -72.88 -21.51 19.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-O 121.308 0.575 . . . . 0.0 110.078 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.17 -46.69 76.51 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.456 178.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.675 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 11.7 pt-20 -70.01 -29.25 66.27 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.696 -179.122 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -61.12 -51.93 67.02 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 109.546 -0.538 . . . . 0.0 109.546 173.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.1 tt -55.21 -42.7 73.65 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.949 -1.023 . . . . 0.0 111.211 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.675 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 5.2 ptp180 -80.22 -8.98 59.7 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.71 0.263 . . . . 0.0 111.71 -176.038 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.41 ' HA ' ' OE1' ' A' ' 64' ' ' GLU . 4.3 tp10 -83.21 -17.95 40.98 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.484 ' HE2' ' SD ' ' A' ' 120' ' ' MET . 20.0 m-85 -119.9 73.18 17.9 Favored Pre-proline 0 C--N 1.33 -0.258 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.857 175.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_endo -82.48 9.96 3.79 Favored 'Trans proline' 0 C--N 1.346 0.41 0 C-N-CA 122.819 2.346 . . . . 0.0 112.609 -173.609 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 83.4 mm-40 -71.84 -35.31 69.84 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.404 177.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.524 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 4.5 m-85 -112.79 160.07 18.35 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.083 179.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -102.81 97.35 7.51 Favored 'General case' 0 C--N 1.32 -0.714 0 N-CA-C 108.619 -0.882 . . . . 0.0 108.619 173.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.524 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 12.1 m95 -84.78 136.28 33.76 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.423 -171.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.507 ' OE1' ' HB ' ' A' ' 34' ' ' VAL . 28.0 mp0 -102.45 130.65 49.3 Favored 'General case' 0 C--N 1.317 -0.846 0 N-CA-C 108.977 -0.749 . . . . 0.0 108.977 170.003 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.73 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 22.7 t -104.97 137.06 36.03 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 110.035 -0.358 . . . . 0.0 110.035 -179.533 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.44 158.99 33.02 Favored 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.762 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 13.7 m -118.14 134.4 61.88 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.883 177.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.602 ' O ' ' HB2' ' A' ' 79' ' ' GLN . . . -102.27 24.54 10.1 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.166 -172.808 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.535 ' CG ' ' H ' ' A' ' 77' ' ' LEU . 18.8 t70 54.66 -157.8 0.2 Allowed 'General case' 0 CA--C 1.54 0.58 0 N-CA-C 110.225 -0.287 . . . . 0.0 110.225 177.732 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.535 ' H ' ' CG ' ' A' ' 76' ' ' ASP . 6.2 mp -101.15 -35.89 9.15 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.696 -0.483 . . . . 0.0 109.696 177.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -77.11 -53.8 7.32 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.002 -0.545 . . . . 0.0 111.035 -179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.602 ' HB2' ' O ' ' A' ' 75' ' ' ALA . 63.5 mm-40 -57.91 -33.65 69.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.888 -174.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.463 ' HA ' HD22 ' A' ' 41' ' ' LEU . 72.4 m -53.01 -33.89 53.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.839 -0.619 . . . . 0.0 112.356 178.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . 0.535 ' HG3' ' HD2' ' A' ' 91' ' ' ARG . 38.2 tt0 -72.82 -42.95 63.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.786 0.327 . . . . 0.0 110.633 -177.304 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -74.11 -42.2 60.44 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.873 179.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.461 HD12 ' HB1' ' A' ' 75' ' ' ALA . 60.0 mt -64.59 -44.24 96.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.56 178.385 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.486 ' HA2' HG12 ' A' ' 89' ' ' VAL . . . -60.56 -39.07 95.94 Favored Glycine 0 N--CA 1.447 -0.629 0 C-N-CA 121.009 -0.615 . . . . 0.0 112.026 178.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -62.72 -46.11 89.64 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.822 0.344 . . . . 0.0 110.485 177.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 48.7 ttt180 -62.34 -42.41 99.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.796 -0.638 . . . . 0.0 112.222 -177.029 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -92.18 5.29 50.93 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.988 0.423 . . . . 0.0 111.337 -175.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 12.3 m120 68.05 34.5 4.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.294 -0.866 . . . . 0.0 112.3 170.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.505 HG21 ' HB3' ' A' ' 94' ' ' ALA . 8.0 p -95.06 9.88 5.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 122.076 0.941 . . . . 0.0 108.462 173.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 20.5 ttp180 72.56 -81.85 0.03 OUTLIER 'General case' 0 C--O 1.231 0.129 0 CA-C-N 113.907 -1.497 . . . . 0.0 110.938 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.535 ' HD2' ' HG3' ' A' ' 81' ' ' GLU . 0.0 OUTLIER -171.58 19.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.809 0.338 . . . . 0.0 110.746 -179.448 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 65.0 m-85 -104.58 155.62 37.12 Favored Pre-proline 0 C--N 1.324 -0.503 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.263 -175.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.913 ' HB3' ' HA ' ' A' ' 43' ' ' SER . 27.8 Cg_exo -62.24 126.07 17.76 Favored 'Trans proline' 0 C--N 1.344 0.336 0 C-N-CA 123.035 2.49 . . . . 0.0 112.131 178.246 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.505 ' HB3' HG21 ' A' ' 89' ' ' VAL . . . -164.56 157.13 16.72 Favored 'General case' 0 CA--C 1.512 -0.497 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.135 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.447 ' CG2' ' HB ' ' A' ' 38' ' ' VAL . 22.6 m -95.32 136.6 35.47 Favored 'General case' 0 C--N 1.313 -0.993 0 CA-C-N 115.702 -0.681 . . . . 0.0 109.22 174.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.11 124.78 35.59 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 179.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 38.2 t -92.74 106.15 17.56 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.552 -175.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.46 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 23.5 m-85 -117.41 123.21 45.87 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.24 179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 33.6 p -144.34 153.8 42.37 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 108.355 -0.98 . . . . 0.0 108.355 177.018 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.527 ' O ' ' HB3' ' A' ' 130' ' ' GLN . 8.9 m-20 64.5 14.48 8.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 123.339 0.4 . . . . 0.0 110.852 175.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.467 ' HA3' ' NE2' ' A' ' 130' ' ' GLN . . . 69.82 23.54 76.83 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.059 -0.591 . . . . 0.0 112.254 -173.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 74.0 tttt -138.76 154.78 48.54 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.95 0.405 . . . . 0.0 110.795 179.632 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.46 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 57.7 tp -80.19 122.99 27.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.009 0.433 . . . . 0.0 111.437 -177.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.503 ' HB3' HG22 ' A' ' 123' ' ' ILE . 20.2 mmt180 -89.4 -33.74 16.75 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.66 -0.7 . . . . 0.0 110.164 175.081 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 147.89 -159.15 27.94 Favored Glycine 0 N--CA 1.448 -0.537 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.845 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -124.85 163.08 22.96 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.944 -0.391 . . . . 0.0 109.944 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -112.17 77.05 1.01 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 179.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 16.6 t -100.57 112.52 24.91 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.011 -0.737 . . . . 0.0 109.011 177.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 103.83 -178.42 24.89 Favored Glycine 0 N--CA 1.447 -0.573 0 N-CA-C 110.257 -1.137 . . . . 0.0 110.257 -172.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.7 HG13 ' HG ' ' A' ' 119' ' ' LEU . 40.7 mm 54.11 87.69 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.377 0 CA-C-O 121.351 0.596 . . . . 0.0 110.749 -179.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.498 ' HB3' ' HD3' ' A' ' 112' ' ' PRO . 27.0 t60 -97.22 -48.65 0.23 Allowed Pre-proline 0 C--N 1.319 -0.745 0 N-CA-C 112.656 0.613 . . . . 0.0 112.656 -173.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.498 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 11.7 Cg_exo -72.63 168.05 25.5 Favored 'Trans proline' 0 C--N 1.351 0.665 0 C-N-CA 122.006 1.804 . . . . 0.0 112.3 176.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.419 ' CH2' ' HG3' ' A' ' 60' ' ' GLU . 5.6 t-105 -76.03 -164.65 0.39 Allowed 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.504 -178.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 68.27 -69.13 0.15 Allowed 'General case' 0 N--CA 1.468 0.448 0 C-N-CA 123.498 0.719 . . . . 0.0 111.124 -176.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -65.95 -35.65 81.17 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.502 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.424 ' HA ' HG21 ' A' ' 110' ' ' ILE . 4.0 tt -59.27 -40.12 85.06 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.449 -178.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 85.1 mt -57.97 -57.71 11.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.701 -179.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 45.6 m -64.42 -39.7 94.35 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.497 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.7 ' HG ' HG13 ' A' ' 110' ' ' ILE . 2.0 tm? -62.15 -50.65 71.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 110.181 -179.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.506 ' O ' HG22 ' A' ' 124' ' ' VAL . 27.2 ttt -68.77 -38.94 80.41 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.255 -179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 88.4 mtt180 -60.84 -36.07 78.18 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 122.245 0.218 . . . . 0.0 111.552 178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.9 t -59.34 -30.69 68.55 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.659 178.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.503 HG22 ' HB3' ' A' ' 104' ' ' ARG . 54.3 mt -86.68 -41.58 14.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.746 -179.424 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.506 HG22 ' O ' ' A' ' 120' ' ' MET . 35.7 m -97.0 33.4 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 121.026 0.441 . . . . 0.0 111.114 -178.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -61.23 -49.22 78.0 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.636 -175.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.414 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 3.6 p -126.11 134.14 25.65 Favored Pre-proline 0 C--N 1.325 -0.479 0 N-CA-C 111.869 0.322 . . . . 0.0 111.869 -178.588 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 126' ' ' THR . 37.2 Cg_exo -61.51 163.23 18.51 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.964 2.442 . . . . 0.0 111.523 173.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -140.64 -167.37 2.34 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 120.957 0.408 . . . . 0.0 111.255 -175.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -129.74 136.79 50.08 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.77 -0.65 . . . . 0.0 109.898 177.196 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.527 ' HB3' ' O ' ' A' ' 100' ' ' ASP . 3.5 pt20 -83.91 154.33 23.46 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.17 -177.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -58.03 -34.02 69.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.784 178.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 40.0 m 66.31 82.87 0.18 Allowed 'General case' 0 C--O 1.234 0.259 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.226 -179.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 3.7 p -141.65 89.01 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-O 122.071 0.939 . . . . 0.0 109.563 175.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -116.34 93.75 4.36 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-N 115.295 -0.866 . . . . 0.0 111.026 -176.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.436 HD22 ' HA ' ' A' ' 135' ' ' LEU . 1.4 tm? -95.88 99.07 10.91 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 177.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -108.59 146.26 33.6 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -125.99 153.11 44.8 Favored 'General case' 0 C--N 1.321 -0.636 0 C-N-CA 120.553 -0.459 . . . . 0.0 110.462 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 82.0 m-70 -91.66 -73.68 0.53 Allowed 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 174.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 31.8 m80 -146.14 92.21 2.16 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.802 174.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 70.6 t60 -77.13 -29.9 54.91 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 108.249 -1.019 . . . . 0.0 108.249 173.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 24.5 t-80 -178.65 -34.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 114.346 -1.297 . . . . 0.0 108.144 172.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 4.9 p80 . . . . . 0 C--O 1.248 1.008 0 CA-C-N 115.389 -0.823 . . . . 0.0 108.948 172.311 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.652 ' HA ' HG21 ' A' ' 26' ' ' THR . 4.5 mpp? . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 120.783 0.325 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.19 148.62 26.65 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.519 179.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 45.0 t-20 -58.45 -54.11 50.7 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 174.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -178.84 -51.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 114.765 -1.107 . . . . 0.0 108.607 174.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 8.2 m 56.71 70.29 1.47 Allowed Pre-proline 0 CA--C 1.534 0.349 0 CA-C-N 114.576 -1.193 . . . . 0.0 111.804 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 5.9 Cg_exo -78.97 -58.87 0.04 OUTLIER 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.801 2.334 . . . . 0.0 111.737 177.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 37.0 t80 -125.91 109.28 12.29 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.901 -179.447 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 23.3 t -177.42 96.08 0.04 OUTLIER 'General case' 0 C--O 1.235 0.305 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.424 174.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -75.48 -30.62 59.97 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.58 178.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.59 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 47.2 tp -66.14 -40.09 90.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.734 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 55.9 t-105 -72.78 -51.78 17.67 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.702 179.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.9 tt0 -52.36 -33.26 42.33 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.484 -178.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.59 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 21.2 ptt180 -66.16 -26.65 67.52 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 120.599 0.238 . . . . 0.0 111.159 -176.289 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.64 HD11 HG22 ' A' ' 56' ' ' VAL . 4.0 mm? -73.97 -37.96 64.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 121.066 0.46 . . . . 0.0 110.447 176.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.538 ' HA ' ' HB2' ' A' ' 19' ' ' TRP . 70.7 mt -66.52 -27.16 67.55 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.698 -175.062 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.484 HG22 ' O ' ' A' ' 13' ' ' ARG . 4.1 t -59.25 -25.63 64.22 Favored 'General case' 0 CA--C 1.536 0.406 0 N-CA-C 112.237 0.458 . . . . 0.0 112.237 -173.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.8 mtt180 -76.78 4.72 9.05 Favored 'General case' 0 N--CA 1.463 0.195 0 CA-C-O 120.715 0.293 . . . . 0.0 111.477 -178.569 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 96.58 29.78 8.05 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.617 -0.801 . . . . 0.0 111.48 -179.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.538 ' HB2' ' HA ' ' A' ' 15' ' ' LEU . 36.2 m0 -96.49 131.2 43.33 Favored 'General case' 0 C--N 1.32 -0.697 0 CA-C-O 121.067 0.461 . . . . 0.0 110.312 -178.347 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -98.84 121.28 56.54 Favored Pre-proline 0 N--CA 1.445 -0.695 0 CA-C-N 115.639 -0.71 . . . . 0.0 110.76 -177.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.519 ' HD3' HD22 ' A' ' 15' ' ' LEU . 37.3 Cg_endo -68.59 132.88 26.31 Favored 'Trans proline' 0 N--CA 1.46 -0.442 0 C-N-CA 121.997 1.798 . . . . 0.0 110.155 170.458 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.4 m -123.92 166.68 18.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 CA-C-O 121.675 0.75 . . . . 0.0 112.675 -174.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.544 ' HB2' HG22 ' A' ' 26' ' ' THR . 52.3 mt-10 -119.69 175.7 5.74 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.307 -1.315 . . . . 0.0 108.599 179.156 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -70.8 -30.03 66.38 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-O 121.236 0.541 . . . . 0.0 110.391 176.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 36.3 t -78.29 -53.71 7.01 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.389 179.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.652 HG21 ' HA ' ' A' ' 1' ' ' MET . 14.5 t -79.11 -13.22 59.87 Favored 'General case' 0 CA--C 1.534 0.341 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -172.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.487 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.8 p -62.18 -32.71 55.53 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.223 0 N-CA-C 109.927 -0.398 . . . . 0.0 109.927 176.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -60.3 -47.82 84.4 Favored 'General case' 0 C--O 1.232 0.162 0 CA-C-N 115.892 -0.594 . . . . 0.0 110.277 178.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.55 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 12.9 t70 -68.0 -45.33 74.38 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.868 -179.192 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.405 ' O ' HG22 ' A' ' 34' ' ' VAL . 78.6 t90 -58.31 -46.2 86.61 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.895 -178.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.404 HG13 ' O ' ' A' ' 27' ' ' VAL . 96.4 mt -57.94 -52.36 59.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.235 179.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.55 ' HE3' ' HA ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -70.86 -20.64 62.51 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.963 0.411 . . . . 0.0 111.113 -177.562 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.5 ttt180 -72.98 -46.43 52.33 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.154 0.502 . . . . 0.0 110.954 178.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.405 HG22 ' O ' ' A' ' 30' ' ' TRP . 34.7 m -88.18 -36.79 9.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.089 -177.273 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.66 -50.26 4.33 Favored Glycine 0 N--CA 1.446 -0.636 0 C-N-CA 120.956 -0.64 . . . . 0.0 111.607 -178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 21.4 m-20 -124.69 133.78 53.09 Favored 'General case' 0 N--CA 1.446 -0.655 0 N-CA-C 109.379 -0.601 . . . . 0.0 109.379 -179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 166.9 -175.74 42.08 Favored Glycine 0 N--CA 1.445 -0.755 0 C-N-CA 120.488 -0.863 . . . . 0.0 112.198 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 18.8 m -131.05 139.74 50.31 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.186 0.517 . . . . 0.0 111.368 -179.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.463 ' HB ' ' HB2' ' A' ' 96' ' ' LEU . 70.4 mt -109.17 123.77 65.32 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-N 115.593 -0.73 . . . . 0.0 109.406 175.03 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.464 HD11 HG21 ' A' ' 58' ' ' ILE . 76.5 mt -98.42 127.17 44.24 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.941 -0.392 . . . . 0.0 109.941 178.238 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.413 HD12 ' H ' ' A' ' 94' ' ' ALA . 74.3 mt -77.26 157.01 31.02 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 174.549 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 28.7 t -61.66 125.61 24.43 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.327 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.8 m -70.57 141.49 51.83 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.656 -0.702 . . . . 0.0 109.318 174.155 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.1 t70 64.44 75.42 0.37 Allowed Pre-proline 0 N--CA 1.464 0.232 0 O-C-N 123.696 0.622 . . . . 0.0 110.718 -179.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 1.4 Cg_endo -84.28 -37.81 0.14 Allowed 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 122.945 2.43 . . . . 0.0 111.523 176.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -174.38 158.51 2.9 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 67.12 -142.88 0.14 Allowed 'General case' 0 C--O 1.233 0.189 0 O-C-N 123.597 0.561 . . . . 0.0 109.747 179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 17.2 p -71.75 137.2 82.81 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-O 120.413 0.149 . . . . 0.0 111.068 178.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -67.5 169.35 15.88 Favored 'Trans proline' 0 C--N 1.344 0.294 0 C-N-CA 122.612 2.208 . . . . 0.0 111.611 175.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -66.21 121.9 16.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.058 0.456 . . . . 0.0 110.35 -178.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 8.2 p -115.97 -9.41 12.22 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.78 -0.646 . . . . 0.0 111.044 -175.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.5 m -62.88 -46.85 85.93 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.778 0.323 . . . . 0.0 110.882 -178.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -158.08 -167.27 2.17 Favored 'General case' 0 C--N 1.328 -0.328 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 178.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -124.12 113.75 27.98 Favored Pre-proline 0 C--N 1.325 -0.492 0 CA-C-O 120.632 0.253 . . . . 0.0 110.767 -177.497 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_exo -58.65 -16.11 28.96 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 122.993 2.462 . . . . 0.0 112.824 -179.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.64 HG22 HD11 ' A' ' 14' ' ' LEU . 23.9 t -61.93 -32.3 53.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 CA-C-O 121.143 0.497 . . . . 0.0 110.571 178.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.411 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 26.5 mmt -95.59 11.1 34.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.904 -174.465 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.464 HG21 HD11 ' A' ' 40' ' ' LEU . 10.8 tt -80.87 -14.05 12.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.596 -0.441 . . . . 0.0 110.707 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -60.85 -34.78 75.1 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.814 -176.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.411 ' HG2' ' O ' ' A' ' 57' ' ' MET . 11.4 pt-20 -73.44 -28.05 61.75 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.179 -179.731 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.59 HD21 HD22 ' A' ' 116' ' ' LEU . 1.8 tm? -57.3 -45.26 84.34 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 121.162 0.506 . . . . 0.0 110.397 179.671 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -56.96 -27.04 60.82 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.512 -0.767 . . . . 0.0 111.794 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -74.55 -12.35 60.44 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.066 -179.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -79.9 -19.61 47.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.877 0.37 . . . . 0.0 110.31 -174.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -120.5 70.63 17.29 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.143 178.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -81.85 42.94 1.41 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.315 2.01 . . . . 0.0 112.411 -174.233 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 12.0 mm100 -91.57 -40.61 11.25 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 121.332 0.587 . . . . 0.0 109.493 178.248 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.406 ' HD2' ' CE2' ' A' ' 70' ' ' TRP . 2.2 m-85 -113.48 174.17 6.05 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.381 -0.827 . . . . 0.0 109.28 -179.527 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -97.4 89.56 4.76 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.163 0.506 . . . . 0.0 109.725 175.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.406 ' CE2' ' HD2' ' A' ' 68' ' ' PHE . 51.1 m95 -79.75 143.52 34.43 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.628 -0.714 . . . . 0.0 110.997 -176.735 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 17.4 mt-30 -133.07 155.38 49.33 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.239 172.075 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 34.9 t -109.98 127.96 66.49 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.6 0 CA-C-O 121.133 0.492 . . . . 0.0 111.117 -175.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -119.22 141.8 48.58 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.772 -0.649 . . . . 0.0 109.38 174.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.496 ' O ' ' HA ' ' A' ' 21' ' ' PRO . 15.4 m -120.57 135.96 59.11 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.161 0.505 . . . . 0.0 110.921 -178.359 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.428 ' HB1' ' HA ' ' A' ' 80' ' ' SER . . . -91.93 128.31 37.72 Favored 'General case' 0 C--N 1.318 -0.787 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.541 179.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.532 ' HB3' ' OE1' ' A' ' 79' ' ' GLN . 17.0 t70 -64.92 159.05 23.7 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.003 177.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.515 ' H ' HD12 ' A' ' 77' ' ' LEU . 6.7 mp -51.99 -33.86 40.05 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 120.919 0.39 . . . . 0.0 111.722 -176.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.8 tt0 -78.03 -52.3 9.0 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.166 -179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.537 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 25.0 mp0 -74.93 -24.7 58.54 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -172.211 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.428 ' HA ' ' HB1' ' A' ' 75' ' ' ALA . 61.3 p -53.83 -40.02 66.08 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.27 0.47 . . . . 0.0 112.27 -174.085 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 21.9 tp10 -62.14 -51.73 66.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.667 -177.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.57 -38.36 87.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.519 -0.309 . . . . 0.0 111.287 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 72.1 mt -65.75 -52.96 43.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.809 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.13 -31.56 81.15 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 111.909 178.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -67.48 -41.2 84.95 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.696 0.284 . . . . 0.0 110.827 178.301 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 49.7 ttt180 -60.55 -39.82 89.33 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 179.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 22.8 m-85 -83.62 0.53 46.44 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.469 179.597 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 34.2 m-80 60.57 30.68 19.92 Favored 'General case' 0 CA--C 1.519 -0.248 0 CA-C-N 115.331 -0.85 . . . . 0.0 111.119 177.024 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.605 HG21 HD11 ' A' ' 96' ' ' LEU . 57.5 t -86.55 -63.61 1.24 Allowed 'Isoleucine or valine' 0 N--CA 1.449 -0.525 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.178 175.655 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.458 ' HG2' ' H ' ' A' ' 91' ' ' ARG . 37.3 ttm180 61.85 179.21 0.12 Allowed 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.759 -0.655 . . . . 0.0 110.564 176.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.458 ' H ' ' HG2' ' A' ' 90' ' ' ARG . 24.6 mmt180 74.17 -134.61 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.294 0 C-N-CA 122.891 0.476 . . . . 0.0 111.626 175.727 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.533 ' HB3' ' HD2' ' A' ' 93' ' ' PRO . 65.2 m-85 -75.31 161.61 76.2 Favored Pre-proline 0 C--N 1.327 -0.404 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.427 -173.256 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.533 ' HD2' ' HB3' ' A' ' 92' ' ' PHE . 10.3 Cg_endo -53.95 125.72 19.64 Favored 'Trans proline' 0 C--N 1.35 0.615 0 C-N-CA 123.021 2.481 . . . . 0.0 112.374 178.495 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.821 ' HA ' ' HA ' ' A' ' 108' ' ' SER . . . -131.54 134.55 46.22 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.55 -177.694 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 19.4 m -76.57 124.7 28.02 Favored 'General case' 0 C--N 1.32 -0.689 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 172.127 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.605 HD11 HG21 ' A' ' 89' ' ' VAL . 3.4 mm? -91.15 125.22 35.87 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 120.899 0.38 . . . . 0.0 110.25 179.548 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 62.7 t -95.4 104.51 15.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.635 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.444 -178.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.431 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 21.2 m-85 -109.94 127.39 54.73 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.472 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.2 p -145.32 136.92 25.3 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.294 -0.866 . . . . 0.0 109.961 176.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 18.1 t0 62.57 23.82 14.16 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.531 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.62 11.96 82.76 Favored Glycine 0 CA--C 1.521 0.451 0 C-N-CA 120.983 -0.627 . . . . 0.0 113.037 -177.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.511 ' HG3' ' OE1' ' A' ' 131' ' ' GLU . 1.5 tmtp? -122.17 143.14 49.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 117.253 0.527 . . . . 0.0 110.392 179.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.456 ' N ' ' HD3' ' A' ' 102' ' ' LYS . 68.6 tp -82.35 115.04 21.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.383 179.189 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -85.4 -26.64 26.3 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.614 -177.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 157.03 -177.74 33.77 Favored Glycine 0 N--CA 1.447 -0.589 0 CA-C-N 115.678 -0.692 . . . . 0.0 112.05 176.506 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.461 ' HB1' ' HB1' ' A' ' 94' ' ' ALA . . . -110.68 148.47 32.2 Favored 'General case' 0 C--N 1.324 -0.541 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 178.051 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.434 HD22 ' HA ' ' A' ' 107' ' ' LEU . 1.0 OUTLIER -95.24 -41.49 9.03 Favored 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 109.535 -0.543 . . . . 0.0 109.535 -177.4 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.821 ' HA ' ' HA ' ' A' ' 94' ' ' ALA . 24.2 m 67.44 145.06 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 115.339 -0.846 . . . . 0.0 111.392 -178.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -74.69 10.63 8.47 Favored Glycine 0 CA--C 1.52 0.373 0 C-N-CA 120.936 -0.65 . . . . 0.0 112.92 -178.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 16.1 tt -89.07 -9.84 10.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-O 121.083 0.468 . . . . 0.0 110.453 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 89.2 m-70 -106.24 117.91 56.14 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.171 176.554 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -85.47 -167.66 0.43 Allowed 'Trans proline' 0 N--CA 1.461 -0.424 0 C-N-CA 122.793 2.328 . . . . 0.0 112.859 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.47 ' CH2' HD23 ' A' ' 61' ' ' LEU . 3.0 t-105 -69.64 -170.64 0.32 Allowed 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.476 178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 69.71 -69.43 0.17 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 123.293 0.637 . . . . 0.0 111.357 -178.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -73.56 -25.66 60.48 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-O 120.878 0.371 . . . . 0.0 110.605 -178.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.59 HD22 HD21 ' A' ' 61' ' ' LEU . 6.9 tt -52.04 -40.07 60.55 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 115.528 -0.76 . . . . 0.0 110.578 -179.493 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -59.48 -36.26 75.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 115.862 -0.608 . . . . 0.0 111.338 -178.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.0 m -85.93 -50.29 7.2 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 120.874 0.369 . . . . 0.0 111.135 -179.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -62.81 -49.66 74.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.893 -175.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 28.3 ttt -76.02 -34.9 59.69 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 120.893 -0.323 . . . . 0.0 111.467 -173.487 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.545 ' HA ' HG22 ' A' ' 124' ' ' VAL . 28.7 ttt180 -62.7 -43.53 98.56 Favored 'General case' 0 C--O 1.224 -0.254 0 C-N-CA 120.582 -0.447 . . . . 0.0 110.48 -178.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.3 m -57.14 -30.68 64.63 Favored 'General case' 0 N--CA 1.445 -0.691 0 CA-C-O 121.174 0.512 . . . . 0.0 111.2 178.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 50.4 mm -80.78 -42.05 20.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.01 -178.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.545 HG22 ' HA ' ' A' ' 121' ' ' ARG . 14.8 m -84.27 -12.54 11.66 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.217 0 CA-C-N 116.486 -0.324 . . . . 0.0 111.659 -175.822 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -69.69 -35.09 74.79 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.913 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 40.0 p 47.98 80.31 0.3 Allowed Pre-proline 0 N--CA 1.465 0.318 0 CA-C-N 115.509 -0.769 . . . . 0.0 112.089 -177.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 36.2 Cg_endo -66.88 -30.78 39.72 Favored 'Trans proline' 0 C--N 1.345 0.387 0 C-N-CA 122.55 2.167 . . . . 0.0 112.43 -178.668 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -151.27 152.62 33.48 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.184 -179.662 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -138.62 -70.99 0.42 Allowed 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 116.632 -0.258 . . . . 0.0 110.811 178.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 57.01 25.25 10.48 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.62 0.724 . . . . 0.0 110.089 -176.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.511 ' OE1' ' HG3' ' A' ' 102' ' ' LYS . 36.2 tt0 -129.12 107.88 9.93 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.417 -173.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 11.5 t -122.09 -7.41 8.86 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.817 -0.629 . . . . 0.0 109.365 168.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 28.7 m -106.98 136.86 40.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.397 -0.82 . . . . 0.0 110.317 179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 -130.61 165.97 21.66 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.25 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.512 HD13 ' N ' ' A' ' 136' ' ' GLU . 2.2 tm? -66.34 140.04 58.07 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 108.416 -0.957 . . . . 0.0 108.416 174.08 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.512 ' N ' HD13 ' A' ' 135' ' ' LEU . 45.0 mt-10 -56.26 114.6 2.05 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.127 0.489 . . . . 0.0 111.798 -175.775 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 22.6 m-70 -88.56 -28.53 20.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.533 174.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 57.9 m-70 -92.92 -43.11 9.12 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.678 -0.692 . . . . 0.0 109.327 177.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . 0.48 ' HA ' ' HB3' ' A' ' 136' ' ' GLU . 10.9 t-80 71.11 -64.69 0.37 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.317 -0.856 . . . . 0.0 112.28 173.203 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -135.66 135.41 40.12 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 -177.476 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -113.87 149.92 34.37 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.722 -175.011 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 67.1 m-70 . . . . . 0 C--O 1.249 1.039 0 CA-C-O 118.744 -0.646 . . . . 0.0 109.836 175.667 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.0 mpp? . . . . . 0 N--CA 1.477 0.891 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.29 110.22 2.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.993 0.425 . . . . 0.0 110.636 179.183 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.473 ' O ' HD12 ' A' ' 77' ' ' LEU . 42.8 t30 -87.97 -35.13 17.8 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.704 -0.68 . . . . 0.0 109.994 179.788 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -81.95 37.67 0.49 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.938 -173.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 17.4 p -125.0 74.05 66.09 Favored Pre-proline 0 C--N 1.324 -0.54 0 CA-C-O 120.763 0.316 . . . . 0.0 111.452 177.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.578 ' HB3' HD13 ' A' ' 77' ' ' LEU . 96.8 Cg_endo -86.64 2.54 7.13 Favored 'Trans proline' 0 C--N 1.346 0.401 0 C-N-CA 122.755 2.303 . . . . 0.0 112.02 179.445 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 30.6 m-85 -110.4 57.44 0.62 Allowed 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 115.833 -0.622 . . . . 0.0 109.471 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.6 p -121.76 151.23 40.78 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.495 -0.775 . . . . 0.0 110.745 -176.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.27 -28.48 69.75 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.813 -179.699 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 64.2 tp -67.71 -46.94 70.78 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.738 177.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.564 ' CH2' ' HA ' ' A' ' 76' ' ' ASP . 56.8 t-105 -66.61 -55.96 12.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.334 -178.121 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.1 tt0 -51.7 -39.23 57.95 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.509 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.407 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 6.1 tpp180 -62.9 -33.42 75.28 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.63 -0.259 . . . . 0.0 111.316 -177.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.3 mt -66.07 -39.05 89.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.018 0.437 . . . . 0.0 110.019 177.071 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.462 HD22 ' HD3' ' A' ' 21' ' ' PRO . 74.5 mt -68.7 -41.43 79.13 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.67 -0.696 . . . . 0.0 109.948 177.762 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 32.1 m -56.46 -30.67 63.17 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.345 178.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 45.3 ttm-85 -74.73 -11.41 60.16 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.364 -175.437 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 116.74 10.49 10.12 Favored Glycine 0 C--N 1.331 0.298 0 C-N-CA 120.471 -0.871 . . . . 0.0 113.12 176.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.433 ' HH2' ' O ' ' A' ' 55' ' ' PRO . 48.6 m0 -98.32 138.78 35.07 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.694 0.283 . . . . 0.0 110.798 179.657 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 14.4 mp0 -108.6 143.33 27.3 Favored Pre-proline 0 N--CA 1.447 -0.584 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.534 177.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.462 ' HD3' HD22 ' A' ' 15' ' ' LEU . 62.9 Cg_endo -77.58 128.01 9.21 Favored 'Trans proline' 0 N--CA 1.461 -0.431 0 C-N-CA 122.587 2.191 . . . . 0.0 112.673 178.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.0 m -111.81 167.47 5.41 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.096 177.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.507 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 39.4 mt-10 -137.34 166.57 23.48 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -176.303 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.69 -20.3 61.94 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.318 0.58 . . . . 0.0 109.559 177.091 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 47.5 t -66.38 -35.73 81.06 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.23 178.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 11.2 t -128.53 12.08 6.36 Favored 'General case' 0 CA--C 1.535 0.392 0 N-CA-C 112.03 0.382 . . . . 0.0 112.03 -173.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.507 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 14.7 p -68.03 -34.16 65.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 O-C-N 122.294 -0.254 . . . . 0.0 111.141 -177.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -59.38 -48.24 82.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.443 -0.344 . . . . 0.0 111.092 179.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -60.3 -46.35 90.18 Favored 'General case' 0 CA--C 1.516 -0.343 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.676 177.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.504 ' O ' HG22 ' A' ' 34' ' ' VAL . 61.5 t90 -55.26 -47.0 76.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.954 -178.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.479 HG13 ' O ' ' A' ' 27' ' ' VAL . 86.6 mt -58.43 -45.82 89.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.965 179.088 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 45.6 tptt -68.65 -36.59 78.78 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.542 0.687 . . . . 0.0 111.09 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -67.12 -45.74 76.23 Favored 'General case' 0 C--N 1.313 -0.979 0 CA-C-N 115.198 -0.91 . . . . 0.0 111.268 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 30' ' ' TRP . 18.6 m -89.8 -37.1 9.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.642 0 CA-C-N 115.804 -0.634 . . . . 0.0 112.213 -177.472 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 83.16 -53.89 4.91 Favored Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 121.078 -0.582 . . . . 0.0 111.816 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -124.4 133.03 53.52 Favored 'General case' 0 C--N 1.32 -0.687 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 -177.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.56 -179.84 42.37 Favored Glycine 0 N--CA 1.444 -0.769 0 C-N-CA 120.346 -0.93 . . . . 0.0 112.621 179.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.415 HG21 ' HG ' ' A' ' 62' ' ' LEU . 15.3 m -133.93 136.66 53.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.04 0.448 . . . . 0.0 110.928 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.43 ' HB ' ' HB2' ' A' ' 96' ' ' LEU . 3.9 mp -105.22 119.04 53.7 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-N 115.701 -0.681 . . . . 0.0 109.452 177.575 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.627 HD11 HG21 ' A' ' 58' ' ' ILE . 82.3 mt -83.53 124.84 31.15 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.751 -0.462 . . . . 0.0 109.751 176.594 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.438 ' HB3' ' H ' ' A' ' 42' ' ' SER . 47.6 mt -75.32 -164.81 0.35 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.946 178.069 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.528 ' HB3' ' HB3' ' A' ' 80' ' ' SER . 81.2 p -51.65 -45.54 63.38 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.989 -173.1 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 14.5 m 56.75 48.97 15.2 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-O 121.024 0.44 . . . . 0.0 110.588 177.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -45.06 126.03 5.44 Favored Pre-proline 0 N--CA 1.465 0.302 0 CA-C-N 114.877 -1.056 . . . . 0.0 112.54 -176.311 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 33.0 Cg_endo -65.98 130.98 25.75 Favored 'Trans proline' 0 C--O 1.237 0.426 0 C-N-CA 122.679 2.253 . . . . 0.0 111.321 175.648 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 20.7 mtp180 -123.65 177.45 5.68 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 120.86 0.362 . . . . 0.0 110.659 -173.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 87.2 mtt180 -119.12 74.75 1.0 Allowed 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.892 -0.781 . . . . 0.0 108.892 176.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.8 t -136.53 143.3 42.6 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.551 -172.868 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 67.6 Cg_endo -74.47 59.6 4.8 Favored 'Trans proline' 0 CA--C 1.532 0.417 0 C-N-CA 122.751 2.301 . . . . 0.0 112.48 178.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -139.85 146.86 39.89 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.15 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 35.4 m -110.14 168.5 4.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.421 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.9 m 66.1 6.08 3.93 Favored 'General case' 0 N--CA 1.466 0.375 0 O-C-N 123.586 0.554 . . . . 0.0 111.872 178.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -77.5 -14.82 59.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.737 . . . . 0.0 109.938 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -113.05 152.5 45.02 Favored Pre-proline 0 N--CA 1.45 -0.462 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.593 179.627 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.534 ' HB3' HD13 ' A' ' 40' ' ' LEU . 71.5 Cg_exo -52.73 -18.71 9.33 Favored 'Trans proline' 0 N--CA 1.477 0.518 0 C-N-CA 124.032 3.155 . . . . 0.0 114.524 -175.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.495 HG23 ' HG3' ' A' ' 57' ' ' MET . 28.2 m -57.18 -21.89 15.8 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.353 0 N-CA-C 112.725 0.639 . . . . 0.0 112.725 -175.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.495 ' HG3' HG23 ' A' ' 56' ' ' VAL . 64.4 mtt -113.0 7.74 18.22 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 112.095 0.406 . . . . 0.0 112.095 -177.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.627 HG21 HD11 ' A' ' 40' ' ' LEU . 8.2 tp -81.79 -20.68 10.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.995 0.426 . . . . 0.0 110.509 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.07 -52.78 53.75 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.938 -0.574 . . . . 0.0 111.36 -176.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -60.76 -29.92 69.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.159 179.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.682 HD11 HD22 ' A' ' 116' ' ' LEU . 5.7 tt -70.99 -56.91 5.17 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.461 0.648 . . . . 0.0 110.18 178.877 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.457 HD22 ' HA ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -64.2 -22.5 66.97 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.084 -0.962 . . . . 0.0 112.051 -171.782 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.8 ptp180 -85.94 9.3 17.33 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 112.316 0.488 . . . . 0.0 112.316 -176.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.52 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 0.0 OUTLIER -87.22 -2.86 58.93 Favored 'General case' 0 N--CA 1.449 -0.492 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.281 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -105.91 91.1 4.96 Favored Pre-proline 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.145 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.52 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 83.8 Cg_endo -85.36 2.45 7.78 Favored 'Trans proline' 0 N--CA 1.459 -0.509 0 C-N-CA 122.635 2.223 . . . . 0.0 112.892 -176.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.3 mt-30 -58.66 -73.58 0.08 Allowed 'General case' 0 C--N 1.333 -0.143 0 CA-C-O 121.026 0.441 . . . . 0.0 110.917 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.422 ' HE2' ' CZ2' ' A' ' 70' ' ' TRP . 0.0 OUTLIER -100.85 177.43 4.97 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 179.403 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 37.0 t70 -100.19 102.9 14.32 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 178.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.422 ' CZ2' ' HE2' ' A' ' 68' ' ' PHE . 51.4 m95 -81.65 148.34 29.09 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.71 -0.677 . . . . 0.0 111.198 -175.305 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.463 ' HG3' ' HB ' ' A' ' 34' ' ' VAL . 45.2 mm-40 -117.17 134.26 54.99 Favored 'General case' 0 C--N 1.319 -0.758 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.078 176.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.3 t -109.7 122.8 64.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 N-CA-C 110.171 -0.307 . . . . 0.0 110.171 -178.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -132.61 158.43 42.24 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.756 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 3.6 m -118.81 154.92 21.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.783 -178.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.429 ' CB ' HD12 ' A' ' 83' ' ' ILE . . . -85.85 19.3 2.58 Favored 'General case' 0 N--CA 1.465 0.297 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -173.256 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.564 ' HA ' ' CH2' ' A' ' 11' ' ' TRP . 36.3 t0 64.16 -93.45 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.522 0 C-N-CA 123.222 0.609 . . . . 0.0 110.989 178.175 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.592 ' HG ' ' N ' ' A' ' 78' ' ' GLU . 2.5 pt? -154.03 -64.27 0.14 Allowed 'General case' 0 CA--C 1.533 0.321 0 O-C-N 122.022 -0.424 . . . . 0.0 111.707 175.113 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.592 ' N ' ' HG ' ' A' ' 77' ' ' LEU . 25.9 tt0 -76.68 -35.29 58.02 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.792 0.806 . . . . 0.0 110.151 -174.666 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.497 ' OE1' ' HB3' ' A' ' 76' ' ' ASP . 21.0 mp0 -63.54 -24.32 67.76 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-N 114.255 -1.339 . . . . 0.0 111.312 -176.286 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.528 ' HB3' ' HB3' ' A' ' 42' ' ' SER . 15.2 m -49.62 -48.01 49.31 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.807 -0.633 . . . . 0.0 112.572 -178.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -68.52 -39.75 81.08 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.016 0.436 . . . . 0.0 110.178 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.17 -33.94 76.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.676 -0.693 . . . . 0.0 111.414 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 79' ' ' GLN . 46.0 mt -65.68 -45.75 91.16 Favored 'Isoleucine or valine' 0 C--O 1.234 0.278 0 CA-C-O 120.652 0.263 . . . . 0.0 110.92 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -64.97 -33.89 88.43 Favored Glycine 0 CA--C 1.518 0.221 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.619 177.359 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -69.39 -42.23 75.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.898 0.38 . . . . 0.0 110.548 177.057 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.2 tpt180 -54.51 -43.33 71.76 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.572 179.238 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 32.1 m-85 -93.2 -2.59 55.06 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.546 -0.297 . . . . 0.0 110.819 -177.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.3 m-80 56.21 40.74 29.94 Favored 'General case' 0 C--O 1.232 0.173 0 CA-C-N 115.736 -0.665 . . . . 0.0 111.193 179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.485 ' O ' ' HB2' ' A' ' 90' ' ' ARG . 9.5 p -95.57 11.97 4.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 CA-C-N 115.475 -0.784 . . . . 0.0 109.281 178.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.485 ' HB2' ' O ' ' A' ' 89' ' ' VAL . 65.8 mtp180 77.49 -178.95 0.13 Allowed 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 114.816 -1.084 . . . . 0.0 110.758 -176.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -108.89 90.79 3.4 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.082 -174.812 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 33.1 p90 -163.73 159.67 17.32 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.3 -0.409 . . . . 0.0 109.97 175.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.42 122.29 11.08 Favored 'Trans proline' 0 C--N 1.348 0.515 0 C-N-CA 122.574 2.182 . . . . 0.0 112.241 179.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -156.48 169.06 25.5 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.306 -177.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.718 ' HB ' HD23 ' A' ' 107' ' ' LEU . 29.9 m -115.8 130.8 56.99 Favored 'General case' 0 C--N 1.319 -0.727 0 CA-C-N 115.943 -0.571 . . . . 0.0 109.519 174.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.43 ' HB2' ' HB ' ' A' ' 39' ' ' ILE . 3.5 mm? -90.97 126.06 35.97 Favored 'General case' 0 C--N 1.323 -0.562 0 C-N-CA 120.964 -0.295 . . . . 0.0 110.311 -177.395 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.8 t -97.56 111.0 26.42 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 115.746 -0.661 . . . . 0.0 110.471 -177.639 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 -118.63 124.73 48.13 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.136 0.493 . . . . 0.0 111.486 178.459 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 41.6 p -140.94 136.35 32.14 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 115.081 -0.963 . . . . 0.0 108.773 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 62.99 19.71 11.81 Favored 'General case' 0 N--CA 1.466 0.358 0 O-C-N 123.39 0.431 . . . . 0.0 110.935 -177.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 70.89 20.97 78.06 Favored Glycine 0 CA--C 1.522 0.524 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.284 -173.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -115.6 146.33 41.87 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 110.403 -0.221 . . . . 0.0 110.403 179.421 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 63.7 tp -85.84 109.28 18.58 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 109.683 -0.488 . . . . 0.0 109.683 176.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.408 ' HB3' HG22 ' A' ' 123' ' ' ILE . 19.1 mmm180 -83.9 -28.93 27.57 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.076 -179.66 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 154.76 -160.69 29.81 Favored Glycine 0 N--CA 1.444 -0.799 0 C-N-CA 120.67 -0.776 . . . . 0.0 111.734 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.477 ' HA ' ' O ' ' A' ' 95' ' ' THR . . . -141.87 151.92 43.14 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.805 0.336 . . . . 0.0 110.992 -178.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.718 HD23 ' HB ' ' A' ' 95' ' ' THR . 3.5 mm? -81.45 108.22 14.87 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.432 179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 12.9 m -132.11 125.43 31.31 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.563 -178.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -158.97 179.75 34.38 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 120.811 -0.709 . . . . 0.0 112.181 -179.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 27.4 pt -102.83 -3.18 9.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 121.172 0.511 . . . . 0.0 110.456 179.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.454 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 8.0 p80 -162.22 144.51 8.54 Favored Pre-proline 0 C--N 1.327 -0.399 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 173.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.454 ' HD3' ' HA ' ' A' ' 111' ' ' HIS . 26.9 Cg_exo -62.98 -74.25 0.02 OUTLIER 'Trans proline' 0 CA--C 1.532 0.412 0 C-N-CA 123.147 2.565 . . . . 0.0 115.026 -169.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.458 ' O ' ' HB2' ' A' ' 114' ' ' ALA . 2.2 t-105 -95.86 121.14 37.28 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 112.877 0.695 . . . . 0.0 112.877 -165.532 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.458 ' HB2' ' O ' ' A' ' 113' ' ' TRP . . . 161.99 -76.75 0.0 OUTLIER 'General case' 0 N--CA 1.471 0.575 0 O-C-N 124.831 1.332 . . . . 0.0 110.204 173.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -77.46 -22.23 51.72 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.578 -1.192 . . . . 0.0 111.213 -171.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.682 HD22 HD11 ' A' ' 61' ' ' LEU . 9.7 tt -53.62 -45.35 70.07 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.068 -0.969 . . . . 0.0 111.46 -178.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -57.1 -37.15 71.51 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.997 -0.547 . . . . 0.0 112.153 -173.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.6 m -82.82 -50.76 8.3 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.644 0.259 . . . . 0.0 110.968 -179.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.472 ' O ' HG13 ' A' ' 123' ' ' ILE . 3.7 mm? -59.91 -40.32 88.43 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-N 116.537 -0.301 . . . . 0.0 111.535 -177.341 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.531 ' O ' HG22 ' A' ' 124' ' ' VAL . 15.2 tpt -57.51 -38.11 74.1 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.835 0.35 . . . . 0.0 110.609 179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 40.7 mtt85 -66.63 -40.13 88.59 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.339 -179.118 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.9 m -67.42 -34.43 77.21 Favored 'General case' 0 N--CA 1.439 -0.988 0 CA-C-O 121.043 0.449 . . . . 0.0 111.111 178.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 119' ' ' LEU . 70.8 mt -68.72 -43.18 83.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.827 179.183 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.531 HG22 ' O ' ' A' ' 120' ' ' MET . 33.3 m -94.88 19.94 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.413 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -78.55 -9.36 59.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.457 -0.338 . . . . 0.0 110.269 179.833 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.431 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 42.2 p 64.47 142.23 0.07 OUTLIER Pre-proline 0 N--CA 1.474 0.745 0 C-N-CA 124.927 1.291 . . . . 0.0 112.379 179.436 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 126' ' ' THR . 2.9 Cg_exo -76.42 12.27 1.63 Allowed 'Trans proline' 0 C--N 1.344 0.328 0 C-N-CA 123.138 2.558 . . . . 0.0 112.056 178.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -87.44 22.69 2.1 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.064 -0.516 . . . . 0.0 111.287 -176.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -126.22 68.01 1.21 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.343 177.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 9.0 tt0 60.67 93.08 0.04 OUTLIER 'General case' 0 C--O 1.233 0.212 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.657 -179.6 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -95.69 148.56 22.42 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 176.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 21.0 p -106.88 -92.76 0.4 Allowed 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 176.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 2.9 m -139.83 84.28 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.278 0.561 . . . . 0.0 110.075 176.628 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -89.85 161.06 16.16 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.101 -179.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.6 mp 56.93 54.73 6.77 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-O 121.268 0.556 . . . . 0.0 109.794 -174.333 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -55.41 149.97 12.41 Favored 'General case' 0 C--O 1.234 0.24 0 CA-C-N 114.941 -1.027 . . . . 0.0 111.421 -179.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 55.2 t-80 -50.17 111.09 0.47 Allowed 'General case' 0 C--N 1.333 -0.134 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.599 177.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -92.6 94.91 9.29 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.682 -177.106 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 25.6 t-80 -61.52 114.85 3.47 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.584 -0.525 . . . . 0.0 109.584 175.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 38.5 p-80 -130.83 140.0 50.21 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-O 121.098 0.475 . . . . 0.0 111.307 -175.381 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -89.15 -26.15 21.45 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 108.362 -0.977 . . . . 0.0 108.362 173.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 53.1 t-80 . . . . . 0 C--O 1.247 0.974 0 CA-C-N 114.855 -1.066 . . . . 0.0 108.815 172.834 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.7 ttt . . . . . 0 N--CA 1.482 1.136 0 CA-C-O 121.149 0.5 . . . . 0.0 110.093 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.76 94.32 1.13 Allowed 'General case' 0 N--CA 1.453 -0.304 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.28 179.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 55.6 t30 -115.57 123.64 48.97 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 109.488 -0.56 . . . . 0.0 109.488 177.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -110.11 95.78 5.81 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.2 0.524 . . . . 0.0 110.662 -178.14 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.448 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 2.2 p -123.41 124.46 26.31 Favored Pre-proline 0 C--N 1.32 -0.71 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.207 178.266 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.448 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 32.5 Cg_exo -58.91 111.19 0.82 Allowed 'Trans proline' 0 C--O 1.234 0.283 0 C-N-CA 122.923 2.415 . . . . 0.0 112.261 -178.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 39.4 p90 -90.93 126.69 36.14 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.419 0.628 . . . . 0.0 111.083 -177.665 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.0 p -97.62 171.85 8.09 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.1 177.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.56 -34.41 78.18 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.815 0.34 . . . . 0.0 110.95 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.451 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 6.7 tt -62.13 -42.92 99.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 109.836 176.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 58.3 t-105 -71.01 -50.2 36.75 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.871 -179.396 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 27.3 tt0 -54.44 -42.19 70.28 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.822 -0.626 . . . . 0.0 112.368 -178.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.527 ' HG3' HD22 ' A' ' 14' ' ' LEU . 19.2 ptt180 -62.99 -31.57 72.72 Favored 'General case' 0 N--CA 1.465 0.296 0 C-N-CA 121.047 -0.261 . . . . 0.0 111.552 -176.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.527 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.8 mm? -70.13 -40.67 74.69 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-O 120.789 0.328 . . . . 0.0 110.461 176.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.5 mt -63.03 -33.3 75.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 121.158 0.504 . . . . 0.0 110.129 176.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.7 m -62.54 -25.85 68.26 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.138 -0.937 . . . . 0.0 111.29 -178.534 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 17.1 ttm180 -71.83 -6.94 45.27 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 120.994 0.426 . . . . 0.0 110.741 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 115.6 25.03 3.84 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.678 -0.772 . . . . 0.0 113.038 173.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.579 ' HH2' ' HA ' ' A' ' 55' ' ' PRO . 39.3 m0 -100.65 144.36 29.71 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 121.013 0.435 . . . . 0.0 110.902 -178.094 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 56.0 mt-30 -109.4 125.1 32.13 Favored Pre-proline 0 N--CA 1.447 -0.615 0 CA-C-N 115.954 -0.566 . . . . 0.0 111.005 179.598 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 57.1 Cg_endo -77.01 115.6 4.04 Favored 'Trans proline' 0 N--CA 1.461 -0.413 0 C-N-CA 122.227 1.951 . . . . 0.0 111.253 173.155 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 19.0 m -112.21 153.98 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.958 0.408 . . . . 0.0 111.44 -175.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.464 ' H ' ' HB ' ' A' ' 26' ' ' THR . 41.3 mt-10 -101.06 -174.61 2.65 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.826 -0.625 . . . . 0.0 110.785 -177.186 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -66.17 -48.21 71.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.925 179.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 11.3 p -89.35 -35.93 15.81 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.994 179.361 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.464 ' HB ' ' H ' ' A' ' 23' ' ' GLU . 10.9 m -64.74 -26.96 68.58 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.664 -177.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 31' ' ' ILE . 8.3 p -68.78 -29.79 44.81 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.175 0 C-N-CA 121.062 -0.255 . . . . 0.0 110.765 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -65.03 -37.32 87.22 Favored 'General case' 0 C--O 1.236 0.349 0 CA-C-O 121.149 0.5 . . . . 0.0 110.233 -179.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -72.95 -38.77 66.66 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.672 -0.694 . . . . 0.0 109.949 177.206 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.432 ' O ' HG22 ' A' ' 34' ' ' VAL . 84.1 t90 -58.71 -45.41 89.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.264 178.374 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 27' ' ' VAL . 90.4 mt -60.1 -45.8 95.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.094 178.557 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -67.34 -27.95 67.57 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.823 0.344 . . . . 0.0 110.801 179.661 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 33.9 ttt180 -72.75 -47.26 48.31 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.874 -0.603 . . . . 0.0 111.565 -178.335 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 30' ' ' TRP . 28.3 m -94.39 -38.79 9.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.715 0 CA-C-N 115.301 -0.863 . . . . 0.0 112.404 -173.415 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.44 -52.33 4.65 Favored Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.806 -0.712 . . . . 0.0 111.954 -175.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -116.55 128.68 55.65 Favored 'General case' 0 C--N 1.318 -0.791 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 -178.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 175.95 173.67 41.83 Favored Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 119.869 -1.157 . . . . 0.0 112.584 -179.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 12.3 m -130.87 134.0 62.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-O 121.01 0.433 . . . . 0.0 110.812 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.5 mp -108.04 127.63 64.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 N-CA-C 109.482 -0.562 . . . . 0.0 109.482 177.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.534 ' HB2' HG12 ' A' ' 74' ' ' VAL . 66.5 mt -91.79 133.97 35.16 Favored 'General case' 0 C--N 1.327 -0.412 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 176.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 60.6 mt -82.27 173.88 11.68 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.821 0.344 . . . . 0.0 110.383 176.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 23.1 t -82.63 96.44 8.11 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.622 -177.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.805 ' HB3' ' HB3' ' A' ' 93' ' ' PRO . 2.9 p -94.85 162.11 13.89 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.314 174.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -67.31 118.28 54.81 Favored Pre-proline 0 C--N 1.328 -0.361 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.207 -177.756 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 96.0 Cg_endo -96.77 7.63 1.52 Allowed 'Trans proline' 0 N--CA 1.453 -0.887 0 C-N-CA 123.079 2.52 . . . . 0.0 113.15 -179.102 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.2 mtm180 -91.3 88.37 6.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-O 120.924 0.392 . . . . 0.0 111.081 -175.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 41.3 ttm180 68.09 -80.95 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.324 179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.48 ' HB ' ' HD2' ' A' ' 49' ' ' PRO . 65.0 p 58.41 156.4 0.09 OUTLIER Pre-proline 0 N--CA 1.474 0.737 0 C-N-CA 124.663 1.185 . . . . 0.0 113.105 -178.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.48 ' HD2' ' HB ' ' A' ' 48' ' ' THR . 60.1 Cg_endo -74.63 -16.51 21.17 Favored 'Trans proline' 0 C--N 1.344 0.331 0 C-N-CA 122.421 2.08 . . . . 0.0 112.433 178.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 45.1 tt0 62.1 96.82 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.251 0 O-C-N 123.834 0.709 . . . . 0.0 111.194 -179.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 12.5 m -128.32 -46.62 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.627 -177.485 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 50.3 m -153.4 164.11 38.75 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.171 -0.677 . . . . 0.0 109.171 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.488 ' CG ' ' H ' ' A' ' 54' ' ' ASN . 15.5 t70 59.6 -144.86 0.53 Allowed 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 -175.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.488 ' H ' ' CG ' ' A' ' 53' ' ' ASP . 11.1 m120 71.84 154.3 0.15 Allowed Pre-proline 0 C--O 1.233 0.221 0 CA-C-O 121.605 0.716 . . . . 0.0 111.974 176.76 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.579 ' HA ' ' HH2' ' A' ' 19' ' ' TRP . 34.4 Cg_exo -62.24 159.27 35.87 Favored 'Trans proline' 0 N--CA 1.461 -0.432 0 C-N-CA 122.685 2.257 . . . . 0.0 112.325 177.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.435 ' HB ' ' O ' ' A' ' 55' ' ' PRO . 85.0 t 76.84 -53.47 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.351 0 CA-C-N 115.707 -0.679 . . . . 0.0 112.177 177.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.47 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 27.2 ttt -61.06 -28.31 68.98 Favored 'General case' 0 N--CA 1.467 0.408 0 CA-C-O 120.742 0.306 . . . . 0.0 111.777 -175.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.0 tp -62.62 -18.24 20.35 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.451 0 CA-C-O 121.125 0.488 . . . . 0.0 111.591 -178.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.53 -44.1 97.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.766 -177.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.47 ' HG2' ' O ' ' A' ' 57' ' ' MET . 10.6 pt-20 -72.01 -28.24 63.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.809 0.338 . . . . 0.0 110.706 -179.676 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -65.26 -54.1 34.29 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.894 174.375 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 6.7 tt -51.86 -45.43 64.06 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.596 -178.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.0 ptm180 -69.19 -7.98 41.45 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 -175.484 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.78 -20.61 45.85 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 -179.759 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -128.2 54.73 14.2 Favored Pre-proline 0 CA--C 1.531 0.24 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.099 -175.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -81.89 43.3 1.49 Allowed 'Trans proline' 0 C--N 1.347 0.458 0 C-N-CA 122.15 1.9 . . . . 0.0 112.397 -173.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 58.2 tp60 -88.44 -45.2 10.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.166 179.236 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.536 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 6.0 m-85 -100.22 171.1 8.0 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.756 -0.656 . . . . 0.0 109.679 -177.607 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -88.24 75.08 8.63 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.352 0.596 . . . . 0.0 109.422 177.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.536 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 90.5 m95 -68.7 145.94 53.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.43 -175.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 13.7 mt-30 -137.59 145.58 42.98 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.494 175.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 30.0 t -103.96 127.8 57.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.186 0.517 . . . . 0.0 111.433 -174.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -122.26 148.09 45.43 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.749 -0.66 . . . . 0.0 109.915 175.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.534 HG12 ' HB2' ' A' ' 40' ' ' LEU . 28.9 m -132.89 171.09 18.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-O 120.749 0.309 . . . . 0.0 110.954 -177.573 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.608 ' HB1' ' HG3' ' A' ' 79' ' ' GLN . . . -145.89 150.16 35.59 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.008 -179.446 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.417 ' C ' HD12 ' A' ' 77' ' ' LEU . 1.2 p30 -86.92 -87.02 0.15 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 112.593 0.59 . . . . 0.0 112.593 -177.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.417 HD12 ' C ' ' A' ' 76' ' ' ASP . 7.6 mp -125.48 -76.45 0.59 Allowed 'General case' 0 C--N 1.328 -0.328 0 O-C-N 121.929 -0.482 . . . . 0.0 112.026 -174.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -56.02 -54.03 49.79 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-O 121.397 0.618 . . . . 0.0 111.091 -175.123 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.608 ' HG3' ' HB1' ' A' ' 75' ' ' ALA . 2.5 pt20 -56.75 -42.19 78.89 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 114.928 -1.033 . . . . 0.0 111.479 -179.641 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 11.8 m -53.53 -44.79 69.46 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.738 -179.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 43.9 tt0 -66.07 -46.9 76.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.663 -178.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.17 -39.28 92.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.024 -179.636 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.0 mt -61.15 -51.09 77.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.445 176.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.34 -44.96 97.39 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 121.064 -0.588 . . . . 0.0 112.76 179.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -56.89 -45.23 82.73 Favored 'General case' 0 N--CA 1.464 0.225 0 CA-C-O 120.747 0.308 . . . . 0.0 110.979 179.519 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 42.1 ttt180 -62.1 -40.83 97.18 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.041 -177.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 -82.62 0.14 44.4 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.906 0.384 . . . . 0.0 110.422 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.462 HD22 ' N ' ' A' ' 88' ' ' ASN . 0.9 OUTLIER 70.94 21.62 4.92 Favored 'General case' 0 N--CA 1.465 0.313 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.253 176.505 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 62.7 t -128.14 100.52 6.04 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.096 178.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.41 ' HD3' ' N ' ' A' ' 90' ' ' ARG . 0.0 OUTLIER -127.43 24.79 6.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.107 0.479 . . . . 0.0 110.501 -178.148 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 4.8 tpp180 -135.67 133.02 37.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.058 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 35.9 m-85 74.09 141.92 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.409 0 O-C-N 124.233 0.958 . . . . 0.0 111.081 -178.099 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.805 ' HB3' ' HB3' ' A' ' 43' ' ' SER . 15.2 Cg_exo -67.43 114.65 3.34 Favored 'Trans proline' 0 N--CA 1.457 -0.633 0 C-N-CA 122.069 1.846 . . . . 0.0 109.737 171.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -142.99 139.67 30.72 Favored 'General case' 0 C--N 1.317 -0.845 0 CA-C-O 121.191 0.519 . . . . 0.0 111.532 -172.225 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.685 ' HB ' HD23 ' A' ' 107' ' ' LEU . 10.7 m -78.98 133.54 36.85 Favored 'General case' 0 N--CA 1.443 -0.803 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.961 173.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -91.91 128.34 37.72 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 177.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 22.1 t -104.45 114.22 43.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.391 -174.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 -118.19 139.34 51.43 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.928 176.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -150.3 142.72 24.35 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.748 -0.66 . . . . 0.0 109.456 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.4 t70 63.49 14.61 8.14 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 121.511 0.672 . . . . 0.0 111.179 -178.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.72 5.38 89.9 Favored Glycine 0 N--CA 1.448 -0.505 0 C-N-CA 120.928 -0.653 . . . . 0.0 112.175 -176.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 54.0 mttm -120.2 161.29 21.31 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-O 120.789 0.328 . . . . 0.0 110.576 179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.5 tp -76.34 139.1 40.86 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.072 179.106 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -120.87 -37.24 3.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.539 -0.3 . . . . 0.0 111.28 178.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 171.28 -162.04 34.66 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.18 -1.009 . . . . 0.0 112.417 178.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -153.63 166.81 31.6 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.951 0.405 . . . . 0.0 110.781 -178.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.685 HD23 ' HB ' ' A' ' 95' ' ' THR . 3.8 mm? -91.39 21.32 4.58 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.723 -0.671 . . . . 0.0 111.296 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.3 m -65.91 135.39 54.71 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.783 -176.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 107.55 150.69 16.41 Favored Glycine 0 N--CA 1.447 -0.607 0 C-N-CA 120.938 -0.648 . . . . 0.0 112.496 175.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 10.2 tt -86.83 120.77 36.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-O 121.197 0.523 . . . . 0.0 110.231 178.558 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.459 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 1.3 p-80 -154.92 141.79 13.46 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.63 -178.567 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.459 ' HD3' ' HA ' ' A' ' 111' ' ' HIS . 33.0 Cg_exo -58.46 164.47 9.02 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 123.44 2.76 . . . . 0.0 112.82 -178.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 76.6 t-105 -54.03 -56.97 13.0 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.731 -0.668 . . . . 0.0 112.068 -177.785 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -56.07 -35.58 67.12 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.805 -0.634 . . . . 0.0 111.052 -179.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -74.24 -40.64 62.25 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.648 -0.705 . . . . 0.0 110.383 179.188 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.0 tt -57.98 -48.14 80.88 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.71 -0.677 . . . . 0.0 109.691 176.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 69.4 mt -58.05 -46.69 84.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.473 177.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 59.4 m -61.09 -51.48 68.94 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.313 -179.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.437 ' O ' HG13 ' A' ' 123' ' ' ILE . 97.2 mt -64.47 -47.09 80.29 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.717 0.294 . . . . 0.0 111.05 -178.56 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 14.8 tpt -63.47 -40.86 98.25 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.378 -179.221 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.642 ' HA ' HG22 ' A' ' 124' ' ' VAL . 41.8 mtt180 -65.5 -36.67 84.54 Favored 'General case' 0 N--CA 1.45 -0.432 0 CA-C-O 120.845 0.355 . . . . 0.0 110.899 177.696 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 25.0 t -60.66 -38.69 85.72 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.03 174.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 119' ' ' LEU . 84.0 mt -68.14 -47.88 76.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.187 179.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.642 HG22 ' HA ' ' A' ' 121' ' ' ARG . 26.1 m -77.79 4.2 1.37 Allowed 'Isoleucine or valine' 0 C--O 1.234 0.276 0 N-CA-C 111.964 0.357 . . . . 0.0 111.964 -175.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -60.28 -31.6 70.4 Favored 'General case' 0 N--CA 1.463 0.184 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 174.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 25.3 m 59.37 85.06 0.19 Allowed Pre-proline 0 C--O 1.234 0.247 0 CA-C-N 114.741 -1.118 . . . . 0.0 112.886 172.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -71.26 125.36 11.28 Favored 'Trans proline' 0 N--CA 1.455 -0.739 0 C-N-CA 121.833 1.689 . . . . 0.0 110.272 168.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -55.36 -63.75 1.06 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 121.026 0.441 . . . . 0.0 111.419 -175.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -86.19 87.4 7.42 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.402 177.041 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.5 tp-100 -161.25 147.2 14.31 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.777 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 69.68 88.32 0.11 Allowed 'General case' 0 C--O 1.234 0.252 0 O-C-N 124.288 0.992 . . . . 0.0 111.161 -178.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 12.3 m -90.91 95.25 10.02 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.098 -0.955 . . . . 0.0 109.543 176.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.9 p -84.27 121.22 36.34 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.021 -177.368 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 52.6 tt0 -97.11 118.04 32.65 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.501 -0.772 . . . . 0.0 109.101 176.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 93.0 mt -56.25 134.07 52.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 123.472 0.482 . . . . 0.0 110.852 -178.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 3.5 mp0 -61.04 154.3 23.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.933 -0.576 . . . . 0.0 111.134 179.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 78.7 t60 -69.91 119.03 13.51 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.734 -0.667 . . . . 0.0 109.358 176.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -60.25 104.4 0.32 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.041 0.448 . . . . 0.0 111.58 -173.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 26.6 p80 -131.69 170.21 15.11 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.557 177.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 35.8 m170 -87.71 160.21 18.19 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.988 0.423 . . . . 0.0 110.978 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 59.7 t-80 -151.49 123.81 8.3 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.409 174.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 8.3 p80 . . . . . 0 C--N 1.317 -0.831 0 CA-C-O 118.286 -0.864 . . . . 0.0 109.98 -177.577 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.5 ttt . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 121.093 0.473 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.93 -56.34 2.33 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.791 -0.641 . . . . 0.0 109.291 173.216 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 20.9 m120 67.41 102.98 0.05 OUTLIER 'General case' 0 C--O 1.237 0.408 0 CA-C-N 115.155 -0.93 . . . . 0.0 112.082 174.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.5 t70 71.46 -174.59 0.17 Allowed 'General case' 0 N--CA 1.463 0.22 0 CA-C-N 114.553 -1.203 . . . . 0.0 109.999 179.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 7.6 m 56.81 67.74 2.48 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-O 121.099 0.476 . . . . 0.0 110.052 -171.052 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 24.8 Cg_exo -63.08 99.9 0.24 Allowed 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.819 2.346 . . . . 0.0 112.699 -176.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 46.0 p90 -87.74 -17.81 30.84 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.347 175.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.2 p -87.81 119.32 28.02 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.961 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -68.66 -33.45 74.02 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.079 -178.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.43 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 7.1 mp -64.66 -27.87 69.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.865 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 28.8 t-105 -79.7 -46.04 17.86 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.496 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -48.45 -35.74 13.54 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.186 -0.915 . . . . 0.0 113.177 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.7 ' HG3' HD22 ' A' ' 14' ' ' LEU . 8.3 ptp180 -62.93 -29.29 70.68 Favored 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 120.635 -0.426 . . . . 0.0 111.574 -177.213 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.7 HD22 ' HG3' ' A' ' 13' ' ' ARG . 2.8 mm? -72.43 -31.09 65.19 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-O 121.108 0.48 . . . . 0.0 109.919 178.537 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 52.6 mt -66.15 -38.59 88.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.932 -0.576 . . . . 0.0 109.568 177.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.9 m -67.41 -27.12 66.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.474 -0.784 . . . . 0.0 110.952 177.367 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -76.39 -14.97 60.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.245 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 105.31 26.01 6.43 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.67 177.262 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 34.7 m0 -99.89 130.73 46.11 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 120.744 0.307 . . . . 0.0 110.424 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -101.42 122.58 47.55 Favored Pre-proline 0 C--N 1.326 -0.415 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.621 -177.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.473 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 4.2 Cg_exo -75.33 114.64 4.04 Favored 'Trans proline' 0 C--O 1.235 0.361 0 C-N-CA 122.871 2.381 . . . . 0.0 111.249 173.027 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 25.2 m -116.75 175.36 3.09 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-O 121.235 0.541 . . . . 0.0 112.143 -174.295 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.517 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 38.2 mt-10 -110.78 167.48 10.2 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.477 -0.783 . . . . 0.0 109.201 178.484 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.47 -21.39 64.62 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.349 0.595 . . . . 0.0 110.572 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.7 p -80.79 -62.22 1.73 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.593 -0.731 . . . . 0.0 110.999 177.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 14.5 t -73.09 -17.37 61.41 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.935 -0.575 . . . . 0.0 112.324 -172.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.442 ' O ' HG13 ' A' ' 31' ' ' ILE . 9.1 p -62.4 -31.29 51.27 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.234 0 CA-C-O 120.81 0.338 . . . . 0.0 110.251 178.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -61.0 -49.13 78.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.416 0.627 . . . . 0.0 110.215 177.565 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -70.96 -35.88 72.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.256 -0.884 . . . . 0.0 110.435 179.38 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.459 ' O ' HG22 ' A' ' 34' ' ' VAL . 85.6 t90 -59.06 -49.92 76.05 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.68 178.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.442 HG13 ' O ' ' A' ' 27' ' ' VAL . 94.8 mt -60.62 -39.58 81.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.077 0.465 . . . . 0.0 110.681 179.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.8 tmtt? -71.06 -23.74 62.2 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.934 178.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.42 ' O ' ' HD3' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -77.15 -44.27 30.93 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.212 -0.449 . . . . 0.0 109.901 -179.667 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.459 HG22 ' O ' ' A' ' 30' ' ' TRP . 26.1 m -85.87 -45.0 17.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 115.762 -0.654 . . . . 0.0 111.783 -177.184 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.95 -18.36 27.2 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.948 -0.644 . . . . 0.0 112.728 -179.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.502 ' OD2' ' HB2' ' A' ' 68' ' ' PHE . 28.0 t0 -142.13 155.93 45.35 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 -176.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.529 ' HA2' ' HB3' ' A' ' 70' ' ' TRP . . . 129.53 -176.09 18.7 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 119.957 -1.116 . . . . 0.0 113.778 172.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 22.0 m -130.6 144.35 38.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.011 0.434 . . . . 0.0 111.108 -178.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.565 HG13 ' HB3' ' A' ' 73' ' ' ALA . 2.6 mp -110.88 132.01 60.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 CA-C-N 115.808 -0.633 . . . . 0.0 109.728 177.806 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.531 ' HB2' HG12 ' A' ' 74' ' ' VAL . 87.3 mt -108.4 134.17 51.56 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.861 0.363 . . . . 0.0 110.898 -179.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 84.1 mt -93.73 153.68 18.2 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.333 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.9 t -76.09 153.71 36.13 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.155 179.696 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 13.1 t -83.37 90.03 7.11 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 121.35 0.595 . . . . 0.0 111.159 -175.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -142.59 84.11 11.29 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.683 -0.69 . . . . 0.0 109.544 173.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.506 ' HA ' ' O ' ' A' ' 91' ' ' ARG . 48.8 Cg_endo -96.98 -169.05 0.12 Allowed 'Trans proline' 0 N--CA 1.451 -0.974 0 C-N-CA 123.542 2.828 . . . . 0.0 112.664 -178.299 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 24.8 ttm-85 -90.1 -73.75 0.51 Allowed 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 174.014 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 14.7 ptm180 -82.51 160.11 22.7 Favored 'General case' 0 N--CA 1.452 -0.333 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 173.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 8.7 m 62.41 69.02 0.96 Allowed Pre-proline 0 C--N 1.326 -0.435 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 -166.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 59.7 Cg_endo -71.36 136.43 28.83 Favored 'Trans proline' 0 C--O 1.237 0.446 0 C-N-CA 122.689 2.259 . . . . 0.0 113.069 -172.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 75.96 151.46 0.12 Allowed 'General case' 0 CA--C 1.531 0.214 0 O-C-N 124.046 0.841 . . . . 0.0 110.803 178.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.0 p -53.94 127.19 11.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.83 -177.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.2 p -129.53 -22.27 3.04 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.811 178.649 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -93.39 154.32 18.01 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.46 178.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.418 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 44.7 m-80 -119.34 139.66 27.97 Favored Pre-proline 0 C--N 1.326 -0.431 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.485 -178.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 54' ' ' ASN . 11.0 Cg_exo -71.29 66.11 2.75 Favored 'Trans proline' 0 CA--C 1.531 0.328 0 C-N-CA 123.102 2.535 . . . . 0.0 112.22 178.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.429 ' C ' ' H ' ' A' ' 58' ' ' ILE . 26.9 m -126.21 164.62 25.77 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-N 115.877 -0.602 . . . . 0.0 109.858 178.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 65.2 mtm 71.38 -20.74 0.22 Allowed 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.312 0.645 . . . . 0.0 112.097 179.352 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.449 HD11 HG21 ' A' ' 95' ' ' THR . 8.7 tp -74.08 -30.87 28.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 116.514 -0.312 . . . . 0.0 111.262 -177.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -75.36 -45.84 36.8 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.974 0.416 . . . . 0.0 111.053 -176.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.672 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 1.7 pm0 -65.81 -28.15 68.79 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.135 177.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.582 HD11 HD21 ' A' ' 116' ' ' LEU . 1.6 tt -52.46 -47.51 66.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.444 -178.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.41 ' HA ' HD13 ' A' ' 62' ' ' LEU . 2.7 mm? -61.28 -22.12 64.57 Favored 'General case' 0 N--CA 1.467 0.405 0 N-CA-C 113.192 0.812 . . . . 0.0 113.192 -173.451 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.672 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 5.1 ptp180 -76.26 -2.94 33.87 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.366 -0.534 . . . . 0.0 111.094 -176.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 10.0 mm-40 -78.94 -10.56 59.85 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-O 121.135 0.493 . . . . 0.0 109.821 174.461 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -117.72 76.44 10.55 Favored Pre-proline 0 N--CA 1.452 -0.366 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.44 175.317 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 3.4 Cg_exo -77.49 43.85 1.41 Allowed 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 123.124 2.549 . . . . 0.0 112.457 -174.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -105.68 -67.5 0.92 Allowed 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.962 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.502 ' HB2' ' OD2' ' A' ' 36' ' ' ASP . 0.1 OUTLIER -95.49 176.81 6.04 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.585 -0.734 . . . . 0.0 109.937 -177.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -112.71 90.12 3.26 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.701 -0.851 . . . . 0.0 108.701 175.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.529 ' HB3' ' HA2' ' A' ' 37' ' ' GLY . 10.4 m95 -72.5 139.65 47.75 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.979 -173.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 27.2 mp0 -101.39 166.91 10.5 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 173.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.1 t -129.09 125.39 62.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-O 120.979 0.419 . . . . 0.0 110.401 177.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.565 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -117.13 144.0 45.19 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.147 177.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.531 HG12 ' HB2' ' A' ' 40' ' ' LEU . 18.3 m -125.23 155.41 34.06 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.384 179.343 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -107.69 156.12 19.43 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.685 179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -68.14 -105.34 0.0 OUTLIER 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.674 179.194 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 10.1 mp -124.37 -66.95 0.95 Allowed 'General case' 0 C--N 1.322 -0.59 0 N-CA-C 109.596 -0.52 . . . . 0.0 109.596 175.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.8 tm-20 -59.15 -41.46 88.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.346 -0.843 . . . . 0.0 109.556 178.2 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.517 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 18.4 mp0 -54.3 -37.02 64.34 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.429 -0.805 . . . . 0.0 111.719 -179.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 46.5 m -64.16 -38.17 90.09 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 120.9 0.381 . . . . 0.0 110.701 -179.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.5 tt0 -74.23 -40.3 62.5 Favored 'General case' 0 N--CA 1.45 -0.44 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 -179.595 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.13 -42.56 96.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.923 -0.581 . . . . 0.0 111.08 177.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.42 HG13 ' O ' ' A' ' 79' ' ' GLN . 67.5 mt -61.57 -47.38 93.61 Favored 'Isoleucine or valine' 0 C--O 1.235 0.342 0 CA-C-O 120.864 0.364 . . . . 0.0 110.179 175.336 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.82 -42.1 94.4 Favored Glycine 0 N--CA 1.447 -0.57 0 C-N-CA 120.903 -0.665 . . . . 0.0 111.71 176.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -57.83 -45.44 86.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.963 0.411 . . . . 0.0 111.025 177.361 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 29.6 tpt180 -60.64 -36.11 77.86 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.631 -0.713 . . . . 0.0 111.881 -178.043 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 62.5 m-85 -106.24 5.32 29.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.724 0.297 . . . . 0.0 111.232 -175.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 62.17 34.38 16.23 Favored 'General case' 0 N--CA 1.465 0.277 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.329 177.7 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 44.0 t -93.91 143.66 11.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 115.453 -0.794 . . . . 0.0 109.042 177.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 52.5 mtp180 -69.08 160.88 30.21 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.626 0.25 . . . . 0.0 110.608 -179.416 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.506 ' O ' ' HA ' ' A' ' 45' ' ' PRO . 18.3 mtp-105 -74.43 78.29 1.9 Allowed 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.515 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -147.3 160.84 38.35 Favored Pre-proline 0 C--N 1.324 -0.522 0 CA-C-N 115.826 -0.625 . . . . 0.0 109.569 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 24.5 Cg_exo -62.31 114.63 2.43 Favored 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 121.846 1.697 . . . . 0.0 110.922 172.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -141.26 147.26 37.94 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.497 -176.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.591 ' HB ' ' HB2' ' A' ' 107' ' ' LEU . 24.7 m -106.19 120.72 42.56 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.643 -0.708 . . . . 0.0 109.85 176.064 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -93.11 124.8 37.34 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 178.474 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.531 HG11 HG12 ' A' ' 124' ' ' VAL . 60.4 t -96.72 119.74 45.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.114 -179.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.406 ' CD2' HD13 ' A' ' 39' ' ' ILE . 23.2 m-85 -122.14 125.82 47.0 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 112.276 0.473 . . . . 0.0 112.276 -176.763 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.412 HG22 ' OD1' ' A' ' 36' ' ' ASP . 70.6 p -145.43 147.86 32.68 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 174.342 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 36.9 t70 65.61 19.26 11.44 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-O 121.84 0.829 . . . . 0.0 109.381 -178.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 70.68 6.54 59.35 Favored Glycine 0 N--CA 1.448 -0.548 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.349 -174.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -115.05 158.16 22.51 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 121.077 0.465 . . . . 0.0 111.116 -176.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.7 tp -81.96 127.83 33.45 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.337 178.358 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.573 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 8.9 mmp_? -89.69 -42.71 11.19 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.144 177.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 173.99 170.83 37.8 Favored Glycine 0 N--CA 1.447 -0.622 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.741 -179.707 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -112.96 140.26 47.92 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.788 0.327 . . . . 0.0 110.508 179.338 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.591 ' HB2' ' HB ' ' A' ' 95' ' ' THR . 4.2 mm? -94.23 109.01 20.84 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.506 179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 49.7 m -151.1 155.14 38.32 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.12 178.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 85.46 -58.6 4.88 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.856 -0.687 . . . . 0.0 113.053 174.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 35.4 pt -76.71 158.89 5.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.981 0.419 . . . . 0.0 111.237 -177.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.898 ' H ' ' HD2' ' A' ' 112' ' ' PRO . 89.9 m-70 -143.71 -50.47 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.449 0 CA-C-N 115.88 -0.6 . . . . 0.0 112.089 -177.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.898 ' HD2' ' H ' ' A' ' 111' ' ' HIS . 21.1 Cg_endo -60.19 151.47 73.0 Favored 'Trans proline' 0 C--N 1.358 1.054 0 C-N-CA 122.353 2.035 . . . . 0.0 114.029 -175.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 18.9 t-105 -73.97 -175.35 2.14 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.637 177.683 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 69.64 -70.23 0.15 Allowed 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.217 0.607 . . . . 0.0 110.879 -178.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -60.08 -36.87 78.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.099 0.476 . . . . 0.0 109.839 176.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.582 HD21 HD11 ' A' ' 61' ' ' LEU . 10.0 tt -54.8 -47.86 73.49 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.53 -0.759 . . . . 0.0 110.191 175.074 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -61.21 -51.55 68.5 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.589 177.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 25.1 m -53.65 -47.73 70.05 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.329 -0.396 . . . . 0.0 111.312 -179.636 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.408 HD13 ' HA ' ' A' ' 119' ' ' LEU . 4.4 mm? -72.45 -49.79 30.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.718 -178.55 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.43 ' O ' HG22 ' A' ' 124' ' ' VAL . 66.7 mtp -63.59 -27.67 69.41 Favored 'General case' 0 N--CA 1.465 0.285 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -177.233 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 89.1 mtt180 -62.73 -39.07 92.96 Favored 'General case' 0 N--CA 1.452 -0.36 0 CA-C-O 120.891 0.377 . . . . 0.0 110.487 175.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 10.4 t -72.91 -30.26 63.77 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.853 -0.612 . . . . 0.0 109.974 177.256 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.431 ' O ' ' HB3' ' A' ' 104' ' ' ARG . 46.9 mm -68.57 -47.59 76.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.705 176.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.531 HG12 HG11 ' A' ' 97' ' ' VAL . 18.8 m -88.36 17.28 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.969 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -50.31 -50.9 49.3 Favored 'General case' 0 N--CA 1.464 0.271 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.547 -178.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 44.4 m 66.05 108.06 0.03 OUTLIER Pre-proline 0 CA--C 1.532 0.275 0 CA-C-O 121.549 0.69 . . . . 0.0 112.168 173.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 57.3 Cg_endo -70.98 -153.58 0.04 OUTLIER 'Trans proline' 0 CA--C 1.531 0.336 0 C-N-CA 122.995 2.463 . . . . 0.0 112.219 176.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -58.87 -31.67 68.76 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.006 177.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 65.93 -174.98 0.18 Allowed 'General case' 0 C--O 1.236 0.375 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.131 177.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 26.1 mm-40 -98.24 54.16 1.08 Allowed 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.699 -0.482 . . . . 0.0 109.699 178.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -51.49 100.03 0.02 OUTLIER 'General case' 0 C--O 1.236 0.357 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.425 -177.4 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.0 p -143.4 137.36 28.61 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.233 -0.894 . . . . 0.0 109.809 177.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 48.8 t 69.21 -68.94 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 C-N-CA 122.946 0.498 . . . . 0.0 111.645 -179.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 50.76 75.31 0.19 Allowed 'General case' 0 N--CA 1.466 0.337 0 CA-C-O 121.361 0.6 . . . . 0.0 109.919 -172.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 7.2 tt -87.08 102.18 14.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.014 -169.237 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -103.26 32.66 3.66 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 167.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 27.0 t-80 -86.49 15.29 5.63 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.327 -174.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -53.25 124.63 15.1 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.891 0.377 . . . . 0.0 110.085 174.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 10.3 p80 -85.69 170.26 12.67 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.358 0.599 . . . . 0.0 112.315 -168.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -64.43 137.26 57.78 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.791 -1.095 . . . . 0.0 110.652 -178.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 26.4 t-80 -100.15 143.53 30.25 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.211 -0.449 . . . . 0.0 109.87 -177.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 55.6 p-80 . . . . . 0 C--O 1.245 0.851 0 CA-C-O 118.963 -0.541 . . . . 0.0 110.82 177.907 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.482 1.171 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 55.57 22.42 5.19 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 123.185 0.594 . . . . 0.0 112.276 176.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -177.34 150.2 0.7 Allowed 'General case' 0 C--O 1.236 0.35 0 N-CA-C 108.921 -0.77 . . . . 0.0 108.921 -175.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -67.31 93.05 0.3 Allowed 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 109.581 -0.526 . . . . 0.0 109.581 175.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.9 p -144.13 132.04 10.78 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.726 -172.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.45 ' HB3' ' NE2' ' A' ' 12' ' ' GLN . 7.2 Cg_exo -74.09 94.38 0.89 Allowed 'Trans proline' 0 N--CA 1.458 -0.588 0 C-N-CA 122.951 2.434 . . . . 0.0 110.412 170.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -104.39 -67.66 0.89 Allowed 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.466 -173.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 34.8 t -120.87 152.78 38.01 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 116.296 -0.411 . . . . 0.0 109.967 -176.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -63.98 -34.96 79.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 110.897 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.428 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 9.0 tt -63.3 -28.98 70.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.378 0.609 . . . . 0.0 109.961 178.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.584 ' CH2' ' HA ' ' A' ' 76' ' ' ASP . 32.4 t-105 -86.08 -51.77 6.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.729 177.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.45 ' NE2' ' HB3' ' A' ' 6' ' ' PRO . 33.6 tt0 -62.7 -24.37 67.62 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.689 -0.687 . . . . 0.0 112.314 -176.286 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.428 ' HG2' ' O ' ' A' ' 10' ' ' LEU . 40.6 ptt180 -56.66 -33.94 66.86 Favored 'General case' 0 N--CA 1.466 0.368 0 O-C-N 122.446 -0.159 . . . . 0.0 110.968 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -75.23 -44.0 48.6 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 121.145 0.498 . . . . 0.0 109.781 177.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.44 HD11 ' NE1' ' A' ' 11' ' ' TRP . 56.8 mt -59.78 -37.85 80.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.737 -179.343 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -60.94 -29.54 69.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.945 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 33.8 mtp180 -80.16 -0.6 36.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.328 -0.397 . . . . 0.0 111.675 -178.103 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 100.41 1.26 55.6 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.462 177.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 31.7 m0 -67.05 131.53 46.03 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 109.74 -0.467 . . . . 0.0 109.74 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.449 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 6.1 tp-100 -103.77 123.06 42.48 Favored Pre-proline 0 C--N 1.325 -0.461 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.946 -171.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.449 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 7.2 Cg_exo -73.28 126.75 11.31 Favored 'Trans proline' 0 C--O 1.234 0.285 0 C-N-CA 122.897 2.398 . . . . 0.0 111.707 176.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.6 m -123.95 163.56 23.39 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.55 -177.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.555 ' HB2' HG22 ' A' ' 26' ' ' THR . 45.9 mt-10 -112.86 164.4 13.46 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 178.574 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.22 -27.65 65.66 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.096 0.474 . . . . 0.0 111.019 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 1.7 p -82.62 -16.51 48.13 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.371 -175.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.555 HG22 ' HB2' ' A' ' 23' ' ' GLU . 12.6 t -129.73 0.73 4.9 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 112.151 0.426 . . . . 0.0 112.151 -176.851 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.457 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.6 p -64.85 -44.81 96.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 121.322 -0.151 . . . . 0.0 111.161 -176.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.487 ' HA ' HD12 ' A' ' 31' ' ' ILE . 4.7 p-10 -64.2 -32.43 74.01 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.845 0.355 . . . . 0.0 110.898 -177.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -67.2 -41.33 86.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.372 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.1 t90 -67.03 -40.52 87.24 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.979 -0.555 . . . . 0.0 109.763 176.451 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.487 HD12 ' HA ' ' A' ' 28' ' ' ASP . 96.1 mt -59.43 -51.63 70.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-N 115.584 -0.734 . . . . 0.0 111.496 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.01 -19.93 64.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.818 0.342 . . . . 0.0 111.134 -178.294 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 55.2 ttt-85 -74.12 -46.17 44.32 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-O 121.158 0.504 . . . . 0.0 110.931 179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.7 m -87.93 -35.02 7.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-N 115.529 -0.76 . . . . 0.0 110.884 -178.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 95.41 -61.21 1.51 Allowed Glycine 0 N--CA 1.445 -0.758 0 CA-C-N 116.194 -0.457 . . . . 0.0 112.147 177.023 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -120.66 131.75 54.74 Favored 'General case' 0 C--N 1.313 -1.011 0 CA-C-O 120.767 0.318 . . . . 0.0 110.402 -174.499 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.86 179.6 45.54 Favored Glycine 0 N--CA 1.449 -0.468 0 C-N-CA 120.911 -0.662 . . . . 0.0 111.914 -178.275 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.6 m -130.23 134.86 61.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.189 0.519 . . . . 0.0 111.421 -179.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.546 HG13 ' HB3' ' A' ' 73' ' ' ALA . 2.1 mp -109.06 127.84 65.42 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 CA-C-N 115.569 -0.741 . . . . 0.0 109.724 177.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.409 HD11 HG21 ' A' ' 58' ' ' ILE . 95.0 mt -104.29 129.95 52.13 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.912 0.387 . . . . 0.0 110.625 -179.882 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 92.8 mt -89.55 168.57 12.06 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.872 -0.603 . . . . 0.0 110.69 178.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.3 t -50.35 113.81 0.97 Allowed 'General case' 0 C--O 1.235 0.316 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.331 175.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.437 ' HA ' ' HB3' ' A' ' 93' ' ' PRO . 38.9 m -86.23 131.89 34.13 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.087 -175.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.623 ' HB2' ' H ' ' A' ' 53' ' ' ASP . 20.4 t70 67.14 116.27 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.44 0 O-C-N 124.092 0.87 . . . . 0.0 111.724 -177.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 4.1 Cg_exo -76.13 16.97 0.77 Allowed 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 123.342 2.695 . . . . 0.0 111.735 175.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.874 ' HA ' ' HE ' ' A' ' 46' ' ' ARG . 0.0 OUTLIER 69.74 50.4 0.49 Allowed 'General case' 0 C--O 1.231 0.129 0 CA-C-N 115.361 -0.836 . . . . 0.0 109.977 -177.679 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 32.1 mmt180 -107.77 -42.14 4.81 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.63 -0.714 . . . . 0.0 111.29 -177.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 23.0 p -115.49 112.77 43.28 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 120.888 0.375 . . . . 0.0 111.906 -176.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 13.1 Cg_exo -69.71 -36.87 10.14 Favored 'Trans proline' 0 N--CA 1.46 -0.456 0 C-N-CA 122.7 2.266 . . . . 0.0 110.474 171.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -83.04 104.86 13.56 Favored 'General case' 0 N--CA 1.453 -0.321 0 CA-C-N 115.178 -0.919 . . . . 0.0 109.613 175.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 54.6 t 65.36 92.51 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 121.499 0.666 . . . . 0.0 111.12 -177.795 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 19.8 m -95.97 178.21 5.5 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.511 -0.768 . . . . 0.0 109.316 175.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.623 ' H ' ' HB2' ' A' ' 44' ' ' ASP . 28.1 m-20 -86.56 122.0 29.88 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 120.774 0.321 . . . . 0.0 110.248 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -149.96 101.02 3.22 Favored Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.176 -0.465 . . . . 0.0 109.898 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -81.35 43.39 1.52 Allowed 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 123.156 2.571 . . . . 0.0 113.919 -172.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.6 m -87.05 73.9 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-O 122.412 1.101 . . . . 0.0 110.533 178.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.419 ' H ' ' H ' ' A' ' 58' ' ' ILE . 25.8 ptt? 174.94 -0.4 0.0 OUTLIER 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 113.617 -1.629 . . . . 0.0 108.706 -178.229 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.419 ' H ' ' H ' ' A' ' 57' ' ' MET . 9.8 tp -72.56 -19.66 19.25 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.191 -0.913 . . . . 0.0 111.022 -174.532 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.63 -42.1 91.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.089 -0.505 . . . . 0.0 112.055 -176.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.431 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 10.1 pt-20 -73.1 -27.59 61.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.803 0.335 . . . . 0.0 111.185 -177.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.568 HD21 HD22 ' A' ' 116' ' ' LEU . 2.4 tm? -59.59 -56.59 19.96 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.572 177.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.432 ' HA ' HD13 ' A' ' 62' ' ' LEU . 3.6 mm? -66.1 -21.16 66.34 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 113.136 0.791 . . . . 0.0 113.136 -173.434 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.431 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 8.6 ptp180 -83.1 9.28 10.74 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.92 179.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.449 ' HB2' ' O ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -84.21 -5.3 59.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.3 0.571 . . . . 0.0 109.475 170.839 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -117.51 79.83 12.57 Favored Pre-proline 0 C--N 1.325 -0.488 0 CA-C-N 115.272 -0.876 . . . . 0.0 109.515 178.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.3 Cg_endo -79.29 43.84 1.57 Allowed 'Trans proline' 0 C--N 1.346 0.44 0 C-N-CA 123.011 2.474 . . . . 0.0 113.312 -172.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 47.8 mt-30 -103.82 -43.56 5.29 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.223 0.535 . . . . 0.0 110.211 175.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -117.46 161.89 18.85 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.817 -176.164 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -95.71 92.92 6.81 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 108.564 -0.902 . . . . 0.0 108.564 171.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 52.1 m95 -71.1 143.1 50.74 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.316 -172.405 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.3 mt-30 -123.34 145.15 48.97 Favored 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.135 -0.938 . . . . 0.0 109.98 -179.659 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 28.1 t -107.98 123.72 63.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-O 120.969 0.414 . . . . 0.0 110.734 -177.633 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.546 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -117.57 147.17 43.07 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.241 177.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 18.8 m -119.67 143.05 32.33 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.038 0.447 . . . . 0.0 110.759 -179.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.487 ' O ' ' HB2' ' A' ' 79' ' ' GLN . . . -95.43 36.36 1.26 Allowed 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.192 -178.154 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.584 ' HA ' ' CH2' ' A' ' 11' ' ' TRP . 28.6 t70 53.22 -106.27 0.29 Allowed 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.759 179.548 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 98.2 mt -149.41 -56.53 0.19 Allowed 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 176.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -70.52 -34.34 72.21 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.163 -0.926 . . . . 0.0 110.303 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.487 ' HB2' ' O ' ' A' ' 75' ' ' ALA . 9.6 mm100 -67.02 -29.39 69.2 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.648 -178.542 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 44.9 m -58.87 -38.04 77.89 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.05 179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -56.26 -49.28 74.65 Favored 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.325 177.2 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -66.38 -43.78 84.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.577 -0.738 . . . . 0.0 111.394 -178.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.413 HD12 ' CB ' ' A' ' 75' ' ' ALA . 54.3 mt -68.11 -39.24 81.03 Favored 'Isoleucine or valine' 0 C--O 1.235 0.31 0 CA-C-N 116.437 -0.347 . . . . 0.0 111.399 -177.216 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.67 -37.24 92.03 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.796 -0.716 . . . . 0.0 111.997 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -77.36 -41.69 39.33 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-O 120.956 0.408 . . . . 0.0 110.315 176.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 28.6 tpt180 -53.57 -41.67 66.77 Favored 'General case' 0 CA--C 1.533 0.305 0 CA-C-N 115.382 -0.826 . . . . 0.0 112.42 -177.681 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -107.66 6.75 28.07 Favored 'General case' 0 C--N 1.326 -0.445 0 C-N-CA 121.088 -0.245 . . . . 0.0 111.591 -177.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 61.15 43.55 10.99 Favored 'General case' 0 N--CA 1.466 0.367 0 CA-C-O 121.12 0.486 . . . . 0.0 111.056 178.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.4 HG12 ' O ' ' A' ' 89' ' ' VAL . 15.8 t -93.08 -0.19 10.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 115.786 -0.643 . . . . 0.0 110.193 -177.196 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.65 ' HA ' ' HE ' ' A' ' 90' ' ' ARG . 6.1 mmp_? 70.54 -176.64 0.2 Allowed 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.648 -173.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 91' ' ' ARG . 42.8 ttm180 -105.8 65.98 0.72 Allowed 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.36 0.6 . . . . 0.0 110.036 178.67 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 84.7 m-85 -138.15 138.45 23.14 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.89 178.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.437 ' HB3' ' HA ' ' A' ' 43' ' ' SER . 13.9 Cg_endo -59.67 114.87 2.25 Favored 'Trans proline' 0 C--O 1.235 0.343 0 C-N-CA 122.392 2.061 . . . . 0.0 111.998 177.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -151.76 147.88 27.21 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.477 -177.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.0 m -81.72 128.06 33.58 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 115.745 -0.661 . . . . 0.0 109.661 176.002 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -91.12 124.42 35.33 Favored 'General case' 0 C--N 1.322 -0.627 0 C-N-CA 120.548 -0.461 . . . . 0.0 109.858 178.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 47.5 t -96.83 104.12 15.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.165 -177.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.526 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 41.7 m-85 -106.65 133.78 50.79 Favored 'General case' 0 C--N 1.32 -0.705 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.59 179.347 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -152.01 145.8 25.09 Favored 'General case' 0 C--N 1.318 -0.798 0 CA-C-N 115.227 -0.897 . . . . 0.0 109.43 -175.373 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 p30 56.15 15.07 1.7 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.743 0.817 . . . . 0.0 112.141 -177.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 94.43 -10.3 71.23 Favored Glycine 0 N--CA 1.442 -0.95 0 CA-C-N 115.903 -0.589 . . . . 0.0 112.313 -177.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 10.2 mtmp? -116.21 168.93 9.68 Favored 'General case' 0 C--N 1.331 -0.224 0 C-N-CA 120.073 -0.651 . . . . 0.0 112.544 -178.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.526 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 61.5 tp -89.89 134.45 34.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.652 -0.704 . . . . 0.0 110.729 -178.203 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.439 ' HD3' ' HA ' ' A' ' 104' ' ' ARG . 27.4 mmt180 -103.55 -24.79 13.39 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.653 -0.249 . . . . 0.0 111.271 177.561 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 155.09 178.36 29.28 Favored Glycine 0 N--CA 1.449 -0.474 0 C-N-CA 120.505 -0.855 . . . . 0.0 112.447 176.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -105.06 148.5 26.72 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 177.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -118.88 99.46 6.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.257 0.551 . . . . 0.0 111.681 -176.048 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 45.6 m -98.55 68.36 1.83 Allowed 'General case' 0 C--N 1.32 -0.708 0 N-CA-C 108.422 -0.955 . . . . 0.0 108.422 167.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -78.84 103.75 2.02 Favored Glycine 0 N--CA 1.45 -0.432 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.448 -175.034 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.435 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 41.2 pt -81.18 -178.54 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-O 120.426 0.155 . . . . 0.0 110.746 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.435 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 21.6 m80 71.54 147.93 0.12 Allowed Pre-proline 0 N--CA 1.468 0.473 0 O-C-N 123.717 0.636 . . . . 0.0 111.204 -178.055 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 61.5 Cg_endo -72.63 62.91 3.77 Favored 'Trans proline' 0 CA--C 1.532 0.407 0 C-N-CA 123.054 2.503 . . . . 0.0 112.954 -178.634 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.401 ' CE2' HD21 ' A' ' 117' ' ' LEU . 5.9 t-105 72.16 113.69 0.06 Allowed 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 115.589 -0.732 . . . . 0.0 111.795 175.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 178.92 -71.88 0.01 OUTLIER 'General case' 0 N--CA 1.466 0.332 0 CA-C-N 115.464 -0.789 . . . . 0.0 111.601 176.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -72.5 -29.75 63.9 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.399 -0.819 . . . . 0.0 112.381 -168.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.568 HD22 HD21 ' A' ' 61' ' ' LEU . 10.5 tt -55.19 -39.48 69.65 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.402 -177.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.401 HD21 ' CE2' ' A' ' 113' ' ' TRP . 4.0 mm? -58.85 -48.95 79.57 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.294 -177.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.5 m -60.51 -46.82 88.74 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.018 0.437 . . . . 0.0 111.08 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.41 HD13 ' HA ' ' A' ' 119' ' ' LEU . 4.2 mm? -70.08 -49.51 50.25 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.793 -175.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.483 ' SD ' HD21 ' A' ' 116' ' ' LEU . 58.0 mtp -70.71 -27.56 64.07 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 -176.472 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.2 mtt-85 -65.11 -35.8 82.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.017 0.437 . . . . 0.0 111.256 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.8 t -66.54 -29.56 69.67 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.607 177.045 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 70.4 mt -68.73 -38.41 78.83 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.299 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.968 -176.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 33.4 m -78.54 31.05 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.466 0.352 0 N-CA-C 112.518 0.562 . . . . 0.0 112.518 -173.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -75.8 -13.94 60.3 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 121.304 0.573 . . . . 0.0 110.127 175.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.432 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 9.1 p -61.16 126.64 86.55 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.477 -179.138 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.432 ' HD3' ' HA ' ' A' ' 126' ' ' THR . 75.4 Cg_endo -91.3 126.38 1.04 Allowed 'Trans proline' 0 N--CA 1.455 -0.76 0 C-N-CA 122.895 2.397 . . . . 0.0 113.141 -179.21 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -105.11 -6.4 19.93 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.316 176.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 64.31 -167.28 0.22 Allowed 'General case' 0 C--O 1.235 0.33 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.282 179.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -116.41 124.36 49.82 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.141 0.496 . . . . 0.0 111.216 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -156.65 -21.46 0.1 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.636 -0.711 . . . . 0.0 111.156 176.699 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 7.4 t -96.04 115.76 27.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.258 0.551 . . . . 0.0 109.716 173.703 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 31.4 m -109.93 147.5 14.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.612 -175.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 60.09 90.17 0.06 Allowed 'General case' 0 C--O 1.234 0.264 0 O-C-N 124.027 0.83 . . . . 0.0 111.271 178.546 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.423 ' O ' HD12 ' A' ' 135' ' ' LEU . 4.0 pp -104.23 135.59 45.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.039 -179.516 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 65.22 109.14 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.034 -0.984 . . . . 0.0 113.226 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -147.31 86.92 1.63 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.53 -0.759 . . . . 0.0 109.422 168.631 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 58.3 m170 -87.14 159.04 19.03 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.215 -178.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -154.45 150.54 27.97 Favored 'General case' 0 C--N 1.326 -0.455 0 C-N-CA 121.044 -0.263 . . . . 0.0 111.102 -175.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 7.9 t60 76.05 101.47 0.07 Allowed 'General case' 0 N--CA 1.467 0.389 0 O-C-N 123.999 0.812 . . . . 0.0 111.646 175.521 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 77.3 t60 -106.03 -35.59 7.21 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.221 173.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 57.2 t-80 . . . . . 0 C--O 1.249 1.071 0 CA-C-N 115.394 -0.821 . . . . 0.0 109.559 175.197 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ttt . . . . . 0 N--CA 1.481 1.082 0 CA-C-O 120.888 0.375 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.18 119.11 23.5 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.029 0.443 . . . . 0.0 111.536 -177.439 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -96.59 79.2 3.01 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.198 -0.667 . . . . 0.0 109.198 173.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -91.03 126.43 36.11 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.812 -0.631 . . . . 0.0 110.778 -174.447 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.1 p -99.29 106.35 38.37 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.932 179.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -76.85 -16.3 16.33 Favored 'Trans proline' 0 C--N 1.345 0.388 0 C-N-CA 122.851 2.368 . . . . 0.0 111.979 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 61.7 t80 -129.24 87.38 2.55 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.408 -0.815 . . . . 0.0 108.918 178.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.9 p -117.15 20.48 13.72 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.16 -175.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.617 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -51.64 -52.84 44.7 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.982 -0.554 . . . . 0.0 111.424 -179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.429 ' H ' HD12 ' A' ' 10' ' ' LEU . 6.5 mp -61.74 -40.35 94.79 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.825 -179.335 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 50.3 t-105 -60.9 -50.32 73.9 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.752 -0.658 . . . . 0.0 110.946 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.3 tt0 -57.51 -35.46 70.28 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.572 178.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.617 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 20.4 mmm180 -65.52 -30.09 70.81 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.995 0.426 . . . . 0.0 110.56 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 86.3 mt -72.31 -45.59 59.32 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.282 178.417 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.409 HD22 ' HG3' ' A' ' 21' ' ' PRO . 82.5 mt -60.64 -42.16 96.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.603 178.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 39.2 m -60.22 -25.28 65.5 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.447 -0.797 . . . . 0.0 111.097 179.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.5 ttm-85 -79.94 8.61 6.64 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-O 121.102 0.477 . . . . 0.0 110.885 -177.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 94.24 22.35 25.06 Favored Glycine 0 C--N 1.331 0.304 0 C-N-CA 121.017 -0.611 . . . . 0.0 113.108 173.441 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 45.0 m0 -100.83 131.87 46.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.965 0.412 . . . . 0.0 110.967 -178.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.508 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 28.0 mp0 -91.57 133.67 30.72 Favored Pre-proline 0 N--CA 1.446 -0.655 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.902 -179.106 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.508 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 6.3 Cg_exo -78.85 121.92 5.2 Favored 'Trans proline' 0 N--CA 1.46 -0.492 0 C-N-CA 123.029 2.486 . . . . 0.0 111.562 175.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.7 m -111.35 155.98 12.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-O 121.102 0.477 . . . . 0.0 111.698 -178.057 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -104.94 166.43 10.39 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.931 178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.448 ' HA ' HG12 ' A' ' 83' ' ' ILE . . . -59.36 -42.34 91.34 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 112.11 0.411 . . . . 0.0 112.11 -176.435 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.8 p -90.17 -38.43 13.5 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.971 0.415 . . . . 0.0 111.49 -178.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.4 m -72.26 -23.66 61.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.01 -174.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.541 ' O ' HG13 ' A' ' 31' ' ' ILE . 13.6 p -62.01 -31.89 52.66 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.17 0 CA-C-O 120.423 0.154 . . . . 0.0 110.822 -179.689 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -59.55 -51.54 69.42 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.188 0.518 . . . . 0.0 111.106 -178.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.627 ' O ' ' HB3' ' A' ' 32' ' ' LYS . 25.6 t70 -74.17 -28.26 61.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.126 0.489 . . . . 0.0 110.641 -179.375 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -59.17 -43.05 92.12 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 172.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.541 HG13 ' O ' ' A' ' 27' ' ' VAL . 75.8 mt -59.05 -40.26 80.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.161 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.255 176.132 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.627 ' HB3' ' O ' ' A' ' 29' ' ' ASP . 1.4 tmmm? -51.67 -40.29 59.78 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.496 -0.775 . . . . 0.0 110.382 174.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 19.0 tpt180 -78.1 -46.48 20.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.407 -172.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.2 m -80.69 -40.74 19.4 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.982 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.97 -175.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 79.94 -51.38 4.07 Favored Glycine 0 N--CA 1.444 -0.78 0 N-CA-C 111.657 -0.577 . . . . 0.0 111.657 -177.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -123.56 147.04 47.66 Favored 'General case' 0 C--N 1.319 -0.731 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 -178.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 154.1 -174.75 32.53 Favored Glycine 0 N--CA 1.448 -0.517 0 C-N-CA 120.315 -0.945 . . . . 0.0 112.411 179.204 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.445 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 19.1 m -137.76 142.16 37.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.183 0.516 . . . . 0.0 111.372 -179.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.56 HG13 ' HB3' ' A' ' 73' ' ' ALA . 3.5 mp -113.47 122.27 67.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.638 0 CA-C-N 115.642 -0.708 . . . . 0.0 109.225 175.072 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.559 ' HB2' HG12 ' A' ' 74' ' ' VAL . 78.4 mt -87.43 119.38 27.65 Favored 'General case' 0 C--N 1.326 -0.444 0 N-CA-C 109.752 -0.462 . . . . 0.0 109.752 178.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 81.1 mt -74.57 152.43 39.3 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.418 0.628 . . . . 0.0 110.987 177.625 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.55 ' HB2' ' CB ' ' A' ' 80' ' ' SER . 7.0 m -103.3 -141.38 0.36 Allowed 'General case' 0 C--N 1.312 -1.025 0 CA-C-N 114.964 -1.016 . . . . 0.0 109.758 -176.521 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.528 ' O ' ' HB3' ' A' ' 44' ' ' ASP . 50.4 m 71.56 135.98 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.192 0 O-C-N 123.713 0.633 . . . . 0.0 110.685 -177.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.528 ' HB3' ' O ' ' A' ' 43' ' ' SER . 28.7 t70 78.09 116.17 0.03 OUTLIER Pre-proline 0 N--CA 1.47 0.542 0 O-C-N 124.059 0.849 . . . . 0.0 110.493 -174.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.29 122.24 9.04 Favored 'Trans proline' 0 CA--C 1.531 0.35 0 C-N-CA 122.908 2.405 . . . . 0.0 113.094 -175.578 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 11.1 mpt_? -70.01 91.01 0.66 Allowed 'General case' 0 N--CA 1.465 0.289 0 CA-C-O 121.297 0.57 . . . . 0.0 110.788 178.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.41 ' HE ' ' HB2' ' A' ' 47' ' ' ARG . 44.7 mtm180 -144.58 42.55 1.36 Allowed 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 108.542 -0.91 . . . . 0.0 108.542 179.645 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 29.2 p 46.9 61.55 13.29 Favored Pre-proline 0 N--CA 1.465 0.314 0 CA-C-N 115.87 -0.604 . . . . 0.0 110.49 -166.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.402 ' HD3' ' H ' ' A' ' 47' ' ' ARG . 58.8 Cg_endo -80.49 -83.33 0.0 OUTLIER 'Trans proline' 0 N--CA 1.453 -0.861 0 C-N-CA 122.225 1.95 . . . . 0.0 112.149 -175.414 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -97.21 -29.75 13.39 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.567 -0.531 . . . . 0.0 109.567 178.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 25.6 m -131.84 -171.27 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 115.599 -0.728 . . . . 0.0 110.096 178.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 2.3 p -88.44 150.84 22.94 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.754 0.312 . . . . 0.0 110.878 177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -90.94 90.68 8.0 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 -176.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 42.4 t-20 -128.51 84.1 64.17 Favored Pre-proline 0 C--N 1.322 -0.62 0 C-N-CA 120.431 -0.508 . . . . 0.0 110.885 177.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 97.4 Cg_endo -93.78 2.88 3.14 Favored 'Trans proline' 0 N--CA 1.453 -0.864 0 C-N-CA 122.765 2.31 . . . . 0.0 111.596 173.33 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.2 t -89.12 -38.86 11.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.543 0 CA-C-O 121.222 0.534 . . . . 0.0 110.769 -175.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 17.9 ttt -75.23 -2.84 29.84 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.511 -174.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.446 HG12 HD21 ' A' ' 40' ' ' LEU . 11.3 tp -69.84 -29.15 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.257 0 N-CA-C 109.724 -0.473 . . . . 0.0 109.724 176.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.53 -32.41 72.34 Favored 'General case' 0 N--CA 1.456 -0.152 0 CA-C-N 116.07 -0.514 . . . . 0.0 109.964 176.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -62.01 -37.6 85.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.006 177.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.696 HD21 HD22 ' A' ' 116' ' ' LEU . 0.2 OUTLIER -67.12 -45.35 77.43 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.67 -0.695 . . . . 0.0 110.229 179.794 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 72.5 mt -66.68 -39.86 88.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.606 -176.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 13.9 ptp180 -74.69 -2.81 27.94 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.718 0.294 . . . . 0.0 111.435 -177.237 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.45 ' C ' ' HD3' ' A' ' 66' ' ' PRO . 57.1 mm-40 -91.35 -7.05 52.0 Favored 'General case' 0 N--CA 1.444 -0.753 0 N-CA-C 110.04 -0.356 . . . . 0.0 110.04 175.303 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 23.4 m-85 -122.42 70.36 34.14 Favored Pre-proline 0 C--O 1.235 0.295 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.446 177.257 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.45 ' HD3' ' C ' ' A' ' 64' ' ' GLU . 3.2 Cg_exo -80.96 54.27 5.17 Favored 'Trans proline' 0 N--CA 1.461 -0.404 0 C-N-CA 123.391 2.727 . . . . 0.0 112.101 -175.616 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -117.63 -36.69 3.62 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 178.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.627 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 5.6 m-85 -106.9 161.54 14.61 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.144 -178.601 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -90.68 89.68 7.62 Favored 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 109.188 -0.671 . . . . 0.0 109.188 176.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.627 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 77.3 m95 -80.32 132.51 35.82 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.653 0.74 . . . . 0.0 112.29 -172.484 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -115.26 140.62 48.94 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 114.406 -1.27 . . . . 0.0 108.962 172.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.9 t -107.62 114.05 45.28 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 120.835 -0.346 . . . . 0.0 110.136 178.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.56 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -115.36 146.16 41.82 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.616 179.842 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.559 HG12 ' HB2' ' A' ' 40' ' ' LEU . 20.9 m -134.67 167.38 26.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.599 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.659 -178.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -129.38 166.16 20.08 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 176.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.527 ' CG ' ' H ' ' A' ' 77' ' ' LEU . 5.2 p-10 -70.64 -93.75 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.399 0 N-CA-C 111.581 0.215 . . . . 0.0 111.581 -177.299 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.527 ' H ' ' CG ' ' A' ' 76' ' ' ASP . 98.1 mt -144.78 -44.44 0.24 Allowed 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 177.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -78.02 -53.68 7.14 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.847 -176.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.459 ' O ' HG13 ' A' ' 83' ' ' ILE . 1.7 mp0 -60.63 -28.76 68.8 Favored 'General case' 0 C--N 1.332 -0.16 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.616 178.434 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.55 ' CB ' ' HB2' ' A' ' 42' ' ' SER . 3.6 m -56.24 -45.28 80.07 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.618 178.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -65.7 -40.21 92.04 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.071 -178.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -64.72 -36.65 84.97 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.857 178.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.459 HG13 ' O ' ' A' ' 79' ' ' GLN . 69.6 mt -65.24 -46.76 89.75 Favored 'Isoleucine or valine' 0 C--O 1.236 0.349 0 CA-C-O 120.937 0.399 . . . . 0.0 110.515 177.125 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.3 -37.23 93.69 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.973 -0.632 . . . . 0.0 111.983 178.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -60.71 -48.08 83.38 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.899 0.38 . . . . 0.0 111.012 176.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 -60.48 -38.14 83.3 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.718 -0.673 . . . . 0.0 112.102 -175.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -97.15 -1.38 45.23 Favored 'General case' 0 C--N 1.326 -0.426 0 C-N-CA 121.007 -0.277 . . . . 0.0 111.24 -176.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 12.2 m120 61.91 64.17 1.04 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-N 115.669 -0.696 . . . . 0.0 111.504 178.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.4 p -67.16 159.46 4.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 CA-C-N 115.888 -0.597 . . . . 0.0 109.573 173.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.422 ' H ' ' HD2' ' A' ' 90' ' ' ARG . 4.0 mpt_? -67.37 -67.55 0.45 Allowed 'General case' 0 C--N 1.328 -0.329 0 C-N-CA 121.1 -0.24 . . . . 0.0 111.087 -178.612 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 8.5 ttm180 -164.68 -43.44 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.953 0.406 . . . . 0.0 111.381 -178.363 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 86.5 m-85 -101.48 157.93 32.73 Favored Pre-proline 0 C--N 1.323 -0.553 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.405 -176.488 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 77.0 Cg_exo -49.53 128.23 20.27 Favored 'Trans proline' 0 C--N 1.351 0.659 0 C-N-CA 122.988 2.459 . . . . 0.0 112.444 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -138.15 161.98 35.42 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.493 -176.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.491 HG23 HD23 ' A' ' 40' ' ' LEU . 28.1 m -96.43 130.95 43.46 Favored 'General case' 0 C--N 1.318 -0.804 0 CA-C-N 116.006 -0.543 . . . . 0.0 109.756 175.635 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.445 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.3 mm? -91.95 124.2 35.89 Favored 'General case' 0 C--N 1.322 -0.607 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.293 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 43.1 t -99.94 113.0 34.04 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.435 -177.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.507 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 34.4 m-85 -111.59 136.82 50.27 Favored 'General case' 0 C--N 1.32 -0.698 0 CA-C-N 115.753 -0.658 . . . . 0.0 111.32 -178.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 80.6 p -150.09 152.58 35.01 Favored 'General case' 0 CA--C 1.506 -0.737 0 N-CA-C 107.391 -1.337 . . . . 0.0 107.391 176.002 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.4 p30 53.87 19.21 1.85 Allowed 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.734 0.647 . . . . 0.0 112.59 176.287 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 86.81 -6.96 81.83 Favored Glycine 0 N--CA 1.443 -0.869 0 C-N-CA 120.957 -0.639 . . . . 0.0 113.042 -178.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 35.9 ttmt -116.33 147.53 41.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 117.671 0.736 . . . . 0.0 112.199 -177.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.507 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 63.9 tp -72.44 122.02 20.55 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-N 115.582 -0.736 . . . . 0.0 110.362 175.368 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.721 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -90.14 -36.71 14.67 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.457 -178.892 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 167.94 179.17 40.37 Favored Glycine 0 N--CA 1.447 -0.617 0 C-N-CA 120.637 -0.792 . . . . 0.0 112.135 178.39 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -107.64 160.24 15.84 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 178.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -134.67 113.25 11.51 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 -178.119 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.7 p -124.45 102.14 7.5 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.152 -0.476 . . . . 0.0 109.954 176.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.443 ' O ' HD12 ' A' ' 116' ' ' LEU . . . 161.09 90.13 0.08 OUTLIER Glycine 0 N--CA 1.447 -0.588 0 N-CA-C 110.948 -0.861 . . . . 0.0 110.948 -177.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 39.3 mm -92.26 -23.99 5.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-O 121.169 0.509 . . . . 0.0 110.73 -173.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.426 ' HB3' ' HD3' ' A' ' 112' ' ' PRO . 5.4 t-80 -85.61 -54.73 0.42 Allowed Pre-proline 0 CA--C 1.541 0.611 0 CA-C-N 116.116 -0.493 . . . . 0.0 112.141 -173.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.426 ' HD3' ' HB3' ' A' ' 111' ' ' HIS . 56.4 Cg_endo -70.46 98.35 0.75 Allowed 'Trans proline' 0 C--N 1.358 1.057 0 C-N-CA 121.918 1.745 . . . . 0.0 112.516 -179.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 61.2 t-105 -76.51 -52.1 10.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.245 -174.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.08 -18.29 63.22 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.193 -0.912 . . . . 0.0 111.559 -175.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -91.91 -37.33 12.95 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-O 120.994 0.426 . . . . 0.0 110.032 177.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.696 HD22 HD21 ' A' ' 61' ' ' LEU . 7.3 tt -56.86 -50.24 73.04 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 115.515 -0.766 . . . . 0.0 110.428 179.53 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.571 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 4.3 mm? -53.81 -45.0 70.66 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.818 -177.467 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 21.0 m -63.92 -47.62 79.82 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.687 0.279 . . . . 0.0 111.384 -177.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.406 HD13 ' HA ' ' A' ' 119' ' ' LEU . 4.4 mm? -74.3 -44.49 52.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.33 -177.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.2 -35.92 78.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.908 0.385 . . . . 0.0 110.129 -179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.571 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 0.0 OUTLIER -59.09 -43.22 91.82 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.037 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.2 m -63.32 -30.92 71.97 Favored 'General case' 0 N--CA 1.441 -0.908 0 CA-C-O 121.211 0.529 . . . . 0.0 110.668 178.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 65.6 mt -69.52 -38.39 76.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.938 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 29.0 m -100.86 25.92 0.99 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -176.293 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -69.01 -27.9 66.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.873 0.368 . . . . 0.0 110.387 179.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 23.2 m 72.12 88.48 0.09 OUTLIER Pre-proline 0 C--O 1.234 0.253 0 CA-C-N 115.553 -0.749 . . . . 0.0 111.211 176.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 2.2 Cg_endo -83.47 -8.48 10.51 Favored 'Trans proline' 0 N--CA 1.459 -0.531 0 C-N-CA 123.381 2.721 . . . . 0.0 112.225 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.46 ' HA ' ' O ' ' A' ' 131' ' ' GLU . . . -60.53 -21.22 62.27 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.744 -177.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -64.72 -22.57 67.01 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.497 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -122.31 -36.22 2.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.709 178.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.46 ' O ' ' HA ' ' A' ' 128' ' ' ALA . 44.2 tt0 -121.29 100.84 7.27 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.965 0.412 . . . . 0.0 110.454 -178.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 13.8 t -141.87 167.52 21.93 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 108.931 -0.766 . . . . 0.0 108.931 177.405 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.463 ' O ' ' HB2' ' A' ' 134' ' ' GLN . 21.2 t -127.81 -38.83 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 -172.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.463 ' HB2' ' O ' ' A' ' 133' ' ' VAL . 1.7 mp0 66.99 99.94 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 O-C-N 123.596 0.56 . . . . 0.0 109.525 -170.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -103.49 89.36 3.34 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.625 -173.458 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 10.5 mp0 -89.09 174.03 8.11 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.666 172.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 12.0 t-80 71.25 5.31 5.4 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.479 0.656 . . . . 0.0 110.671 178.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -70.2 137.82 51.23 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 176.514 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 35.3 t-80 -67.1 126.12 28.19 Favored 'General case' 0 C--N 1.325 -0.461 0 C-N-CA 120.687 -0.405 . . . . 0.0 110.517 -175.515 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 26.2 m170 -110.71 152.92 25.98 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.328 -176.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -95.38 147.11 23.86 Favored 'General case' 0 C--N 1.326 -0.42 0 N-CA-C 109.196 -0.668 . . . . 0.0 109.196 173.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 . . . . . 0 C--O 1.246 0.87 0 CA-C-O 118.406 -0.807 . . . . 0.0 109.66 178.139 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 17.8 mmt . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 64.44 -169.74 0.2 Allowed 'General case' 0 C--O 1.235 0.319 0 O-C-N 123.504 0.502 . . . . 0.0 110.717 -174.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.2 p-10 -133.83 4.71 3.59 Favored 'General case' 0 C--N 1.326 -0.452 0 C-N-CA 120.969 -0.292 . . . . 0.0 111.236 179.225 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -92.73 129.34 38.68 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.015 0.436 . . . . 0.0 111.322 -178.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.617 HG22 ' HB2' ' A' ' 76' ' ' ASP . 81.1 p -102.92 173.21 3.64 Favored Pre-proline 0 C--N 1.321 -0.651 0 CA-C-N 115.466 -0.788 . . . . 0.0 109.258 175.338 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.63 ' HD3' ' OD1' ' A' ' 76' ' ' ASP . 52.3 Cg_exo -55.32 -42.97 63.12 Favored 'Trans proline' 0 C--N 1.347 0.475 0 C-N-CA 121.915 1.744 . . . . 0.0 111.213 175.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.1 t80 58.71 19.1 6.5 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 115.283 -0.871 . . . . 0.0 111.058 177.421 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -79.47 160.1 26.71 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.002 -0.544 . . . . 0.0 110.51 -178.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -65.13 -29.09 69.91 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.04 0.447 . . . . 0.0 110.374 177.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.589 ' H ' HD12 ' A' ' 10' ' ' LEU . 5.3 mp -63.78 -27.97 69.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.23 176.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 42.2 t-105 -81.61 -52.02 7.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.281 179.017 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -58.81 -33.6 70.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.615 -0.721 . . . . 0.0 112.147 -176.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.665 ' HG3' HD22 ' A' ' 14' ' ' LEU . 11.1 ptp180 -63.88 -29.74 70.9 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -177.557 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.665 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.9 mm? -75.31 -32.34 60.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.825 0.345 . . . . 0.0 110.397 178.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 63.8 mt -63.93 -30.92 71.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.252 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 24.7 m -59.93 -26.19 65.75 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.132 178.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 53.8 ttt180 -82.75 10.6 7.28 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 121.015 0.435 . . . . 0.0 110.834 -176.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 92.93 21.18 31.36 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.871 -0.68 . . . . 0.0 112.49 176.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 38.0 m0 -94.56 130.05 41.14 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.058 0.456 . . . . 0.0 110.557 -179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -93.11 122.71 62.85 Favored Pre-proline 0 C--N 1.323 -0.565 0 CA-C-N 115.703 -0.68 . . . . 0.0 111.043 -177.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 66.2 Cg_endo -77.5 115.73 3.95 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.317 2.011 . . . . 0.0 111.76 174.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.3 m -110.8 171.64 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 120.891 0.377 . . . . 0.0 111.324 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.466 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 45.9 mt-10 -111.44 170.41 8.14 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.997 -0.547 . . . . 0.0 109.94 -179.369 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.508 ' HB2' ' HB3' ' A' ' 79' ' ' GLN . . . -72.36 -48.96 37.7 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.064 0.459 . . . . 0.0 110.95 -176.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 15.0 m -78.13 -30.06 49.14 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.07 -178.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.5 m -90.63 -13.02 35.16 Favored 'General case' 0 CA--C 1.536 0.411 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 -172.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.469 HG12 ' O ' ' A' ' 24' ' ' ALA . 11.8 p -62.01 -31.48 51.39 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.302 0 CA-C-O 120.658 0.266 . . . . 0.0 110.9 -179.034 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -59.15 -47.79 84.0 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-O 121.232 0.539 . . . . 0.0 110.783 179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -65.68 -40.71 92.63 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.991 -178.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 88.9 t90 -59.51 -49.24 78.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.797 179.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 27' ' ' VAL . 92.7 mt -59.78 -42.46 88.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.851 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.49 -25.69 68.1 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.184 0.516 . . . . 0.0 110.354 179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 79.5 ttt180 -80.37 -46.21 16.44 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.024 -177.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 28.4 m -82.49 -43.47 19.04 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 CA-C-N 115.531 -0.759 . . . . 0.0 112.256 -175.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.82 -56.88 3.74 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 121.056 -0.592 . . . . 0.0 111.653 -177.696 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.404 ' OD1' ' HA ' ' A' ' 99' ' ' THR . 51.4 m-20 -113.97 139.92 48.84 Favored 'General case' 0 C--N 1.319 -0.728 0 CA-C-N 115.384 -0.408 . . . . 0.0 110.072 -179.132 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.04 174.07 34.34 Favored Glycine 0 N--CA 1.446 -0.685 0 C-N-CA 120.068 -1.063 . . . . 0.0 112.934 179.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.508 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 10.1 m -131.77 127.97 59.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.139 0.495 . . . . 0.0 110.709 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.474 HG13 ' HB3' ' A' ' 73' ' ' ALA . 4.1 mp -111.29 134.57 53.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 179.163 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.549 HD12 HG12 ' A' ' 74' ' ' VAL . 76.7 mt -87.37 129.01 35.19 Favored 'General case' 0 C--N 1.326 -0.434 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 177.424 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.508 ' HG ' HD21 ' A' ' 96' ' ' LEU . 24.0 mt -79.71 -170.48 2.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 121.412 0.625 . . . . 0.0 111.836 178.817 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.474 ' N ' ' HB2' ' A' ' 80' ' ' SER . 90.3 p -70.58 112.79 7.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 114.995 -1.002 . . . . 0.0 110.642 -176.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 28.2 t -89.76 92.08 8.9 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.129 0.49 . . . . 0.0 111.2 -175.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -153.64 88.81 3.58 Favored Pre-proline 0 C--N 1.326 -0.434 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.306 172.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -91.16 98.35 0.23 Allowed 'Trans proline' 0 N--CA 1.451 -0.973 0 C-N-CA 123.097 2.531 . . . . 0.0 112.963 -177.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 16.4 mtp-105 -96.27 -29.61 13.91 Favored 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 174.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.6 mmt180 -93.59 104.18 16.31 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.375 -0.829 . . . . 0.0 110.063 177.218 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 32.8 m 69.89 90.06 0.08 OUTLIER Pre-proline 0 C--N 1.327 -0.381 0 O-C-N 124.063 0.852 . . . . 0.0 111.011 -177.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 5.8 Cg_exo -80.55 -162.39 0.18 Allowed 'Trans proline' 0 N--CA 1.457 -0.639 0 C-N-CA 122.979 2.453 . . . . 0.0 111.275 174.833 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 15.2 tp10 65.53 26.73 11.71 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.195 0.521 . . . . 0.0 110.044 177.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.459 HG23 ' HA ' ' A' ' 110' ' ' ILE . 14.5 p -159.02 144.69 6.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.987 -0.552 . . . . 0.0 109.78 -178.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 44.9 m 57.32 42.0 25.73 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-O 121.395 0.617 . . . . 0.0 110.835 -177.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.52 -42.24 95.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.201 -0.909 . . . . 0.0 109.844 -178.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.46 ' OD1' HG13 ' A' ' 56' ' ' VAL . 24.3 t-20 -169.05 138.69 1.77 Allowed Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 115.057 -0.974 . . . . 0.0 108.605 178.254 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 54' ' ' ASN . 15.0 Cg_exo -70.49 43.59 0.44 Allowed 'Trans proline' 0 CA--C 1.534 0.513 0 C-N-CA 123.337 2.691 . . . . 0.0 114.006 -176.084 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.46 HG13 ' OD1' ' A' ' 54' ' ' ASN . 2.7 m -87.24 79.02 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 121.786 0.803 . . . . 0.0 109.558 174.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.602 ' HB2' ' HZ3' ' A' ' 113' ' ' TRP . 17.7 ptp 168.96 -25.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 113.953 -1.476 . . . . 0.0 108.602 -174.372 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.401 HD12 ' HA ' ' A' ' 58' ' ' ILE . 8.6 tp -69.17 -28.71 40.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 114.783 -1.099 . . . . 0.0 111.602 -171.465 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.511 ' O ' ' HG3' ' A' ' 63' ' ' ARG . . . -67.96 -51.51 46.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.91 0.386 . . . . 0.0 110.707 -178.184 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.447 ' HA ' ' HD2' ' A' ' 63' ' ' ARG . 7.7 pt-20 -70.61 -29.44 65.83 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.989 -178.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.417 HD21 HD22 ' A' ' 116' ' ' LEU . 1.3 tm? -60.4 -56.95 15.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.358 179.193 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.443 HD13 ' HA ' ' A' ' 62' ' ' LEU . 4.0 mm? -64.0 -20.66 66.06 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.987 -0.552 . . . . 0.0 111.732 -178.554 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.511 ' HG3' ' O ' ' A' ' 59' ' ' ALA . 58.1 mtt180 -72.72 -5.69 39.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.568 -0.287 . . . . 0.0 111.339 178.481 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -84.65 -6.51 59.37 Favored 'General case' 0 N--CA 1.451 -0.422 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.727 177.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -119.61 80.61 23.43 Favored Pre-proline 0 C--N 1.327 -0.379 0 N-CA-C 109.988 -0.375 . . . . 0.0 109.988 178.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 84.8 Cg_endo -86.67 43.34 1.02 Allowed 'Trans proline' 0 N--CA 1.461 -0.409 0 C-N-CA 122.846 2.364 . . . . 0.0 112.31 -175.811 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.2 mt-30 -110.08 -51.25 2.89 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.003 -179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.579 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 9.4 m-85 -94.41 165.51 12.52 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.536 -179.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -102.09 82.62 2.24 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 108.939 -0.763 . . . . 0.0 108.939 176.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.579 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 61.2 m95 -70.38 147.87 49.05 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.479 -172.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 11.8 mt-30 -126.77 131.13 51.37 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.034 -0.728 . . . . 0.0 109.034 172.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.9 t -92.79 113.95 28.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 N-CA-C 109.599 -0.519 . . . . 0.0 109.599 178.394 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.474 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -114.31 140.46 48.6 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.91 -178.299 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.549 HG12 HD12 ' A' ' 40' ' ' LEU . 16.0 m -118.69 142.83 31.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.774 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.292 178.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -113.5 151.11 31.95 Favored 'General case' 0 C--N 1.317 -0.837 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.672 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.84 ' HB3' ' HG2' ' A' ' 79' ' ' GLN . 2.9 t70 -53.87 147.66 11.69 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.535 175.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.0 mt -60.42 -32.83 71.72 Favored 'General case' 0 C--N 1.332 -0.187 0 N-CA-C 111.947 0.351 . . . . 0.0 111.947 -174.019 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -79.74 -43.27 22.9 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.998 0.428 . . . . 0.0 110.264 176.671 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.84 ' HG2' ' HB3' ' A' ' 76' ' ' ASP . 11.2 mm-40 -64.21 -34.83 78.99 Favored 'General case' 0 N--CA 1.465 0.293 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.323 -176.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.474 ' HB2' ' N ' ' A' ' 42' ' ' SER . 2.6 p -62.04 -26.98 68.57 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.891 0.701 . . . . 0.0 112.891 -174.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -65.8 -43.37 88.91 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-O 121.154 0.502 . . . . 0.0 109.664 176.431 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -65.8 -34.58 78.49 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.586 -0.734 . . . . 0.0 111.131 -179.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.5 mt -68.52 -44.18 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.856 0.36 . . . . 0.0 110.379 177.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -63.2 -33.0 86.04 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.562 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -70.96 -48.12 55.17 Favored 'General case' 0 C--N 1.323 -0.548 0 C-N-CA 122.33 0.252 . . . . 0.0 111.084 177.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.628 ' NE ' ' HA ' ' A' ' 86' ' ' ARG . 1.0 OUTLIER -52.67 -47.03 67.43 Favored 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 116.114 -0.494 . . . . 0.0 112.092 -177.094 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -88.94 -0.82 57.74 Favored 'General case' 0 C--N 1.323 -0.551 0 C-N-CA 121.024 -0.27 . . . . 0.0 111.361 -177.651 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.43 HD22 ' N ' ' A' ' 88' ' ' ASN . 0.9 OUTLIER 57.8 36.4 26.41 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 123.428 0.455 . . . . 0.0 110.378 -178.688 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.3 t -61.07 -69.41 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.62 -175.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.419 ' HA ' ' HD2' ' A' ' 90' ' ' ARG . 5.9 tpt180 177.89 -158.45 0.02 OUTLIER 'General case' 0 C--O 1.233 0.219 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.205 176.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 18.1 ptp180 -123.9 29.25 6.55 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.759 0.314 . . . . 0.0 111.132 -176.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 44.9 p90 -138.57 158.05 71.06 Favored Pre-proline 0 C--N 1.326 -0.44 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 178.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -61.93 123.62 12.95 Favored 'Trans proline' 0 C--N 1.346 0.436 0 C-N-CA 122.875 2.384 . . . . 0.0 112.474 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.495 ' HB1' ' HB1' ' A' ' 106' ' ' ALA . . . -151.45 159.88 43.99 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.638 -179.063 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.413 HG23 HD23 ' A' ' 40' ' ' LEU . 6.4 m -99.03 136.84 38.41 Favored 'General case' 0 C--N 1.319 -0.736 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.756 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.508 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.0 mm? -91.68 125.27 36.34 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 120.838 0.352 . . . . 0.0 110.561 179.349 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.6 t -95.06 100.06 10.43 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.702 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.065 178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.462 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 25.3 m-85 -103.81 136.35 43.65 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.368 178.591 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.404 ' HA ' ' OD1' ' A' ' 36' ' ' ASP . 0.2 OUTLIER -150.73 136.92 18.5 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 115.428 -0.806 . . . . 0.0 109.978 -178.232 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER 57.58 17.13 3.76 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.955 0.902 . . . . 0.0 111.943 -178.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.77 -11.54 70.92 Favored Glycine 0 N--CA 1.443 -0.848 0 C-N-CA 120.853 -0.689 . . . . 0.0 112.249 -176.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -108.11 148.72 29.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.378 0.608 . . . . 0.0 112.267 -179.268 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.462 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 65.6 tp -82.99 136.1 34.63 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.349 179.776 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 58.6 mmt-85 -100.12 -39.34 8.13 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.516 -0.311 . . . . 0.0 110.847 176.841 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 165.51 -166.91 38.69 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.088 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.495 ' HB1' ' HB1' ' A' ' 94' ' ' ALA . . . -111.92 156.26 22.36 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.673 0.273 . . . . 0.0 110.919 -178.866 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -135.32 127.8 30.55 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 9.1 m -102.31 143.1 32.5 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.965 -176.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -81.24 92.12 1.47 Allowed Glycine 0 N--CA 1.45 -0.414 0 C-N-CA 120.983 -0.627 . . . . 0.0 111.765 178.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.459 ' HA ' HG23 ' A' ' 51' ' ' VAL . 31.7 pt -90.42 166.58 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 120.958 0.408 . . . . 0.0 111.401 -176.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.435 ' N ' ' HD2' ' A' ' 112' ' ' PRO . 14.0 m170 -84.47 -52.89 0.52 Allowed Pre-proline 0 C--N 1.326 -0.449 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.921 179.148 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.435 ' HD2' ' N ' ' A' ' 111' ' ' HIS . 39.1 Cg_endo -67.34 99.07 0.48 Allowed 'Trans proline' 0 C--N 1.355 0.896 0 C-N-CA 121.72 1.613 . . . . 0.0 112.316 178.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.602 ' HZ3' ' HB2' ' A' ' 57' ' ' MET . 6.5 t-105 -77.76 111.49 13.62 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.37 -179.253 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 176.67 -62.89 0.01 OUTLIER 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 115.199 -0.909 . . . . 0.0 110.008 179.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.6 pt-20 -68.75 -28.33 66.7 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 115.039 -0.982 . . . . 0.0 111.254 -175.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.417 HD22 HD21 ' A' ' 61' ' ' LEU . 6.3 tt -56.41 -41.67 76.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.117 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 93.5 mt -59.23 -56.97 15.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.483 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 27.8 m -63.79 -39.92 95.41 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.486 -178.214 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.419 ' O ' HG12 ' A' ' 123' ' ' ILE . 2.0 tm? -65.51 -51.35 60.61 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.729 0.3 . . . . 0.0 110.353 -176.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 27.3 ttt -69.07 -36.42 77.62 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 120.642 -0.423 . . . . 0.0 111.039 -177.617 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 74.8 mtt180 -63.61 -35.54 80.87 Favored 'General case' 0 N--CA 1.45 -0.452 0 CA-C-O 120.685 0.279 . . . . 0.0 111.222 178.424 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.0 t -66.42 -30.17 70.48 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.033 0.444 . . . . 0.0 110.512 177.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 119' ' ' LEU . 51.8 mm -79.36 -47.45 22.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.913 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 26.7 m -83.33 5.86 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.456 -177.599 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 37.9 t70 -60.04 -29.24 68.38 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.014 0.435 . . . . 0.0 110.407 178.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 65.0 m 70.52 102.06 0.04 OUTLIER Pre-proline 0 C--O 1.233 0.226 0 CA-C-N 115.275 -0.875 . . . . 0.0 112.079 173.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 2.7 Cg_exo -75.89 123.29 7.29 Favored 'Trans proline' 0 N--CA 1.46 -0.486 0 C-N-CA 122.992 2.461 . . . . 0.0 111.477 175.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 65.82 -173.09 0.18 Allowed 'General case' 0 C--N 1.332 -0.171 0 O-C-N 123.662 0.601 . . . . 0.0 111.44 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -113.28 -13.77 12.9 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.204 -179.095 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 73.95 -17.87 0.43 Allowed 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.229 0.611 . . . . 0.0 111.421 179.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.425 ' O ' ' HB ' ' A' ' 132' ' ' THR . 33.7 mt-10 71.1 155.89 0.15 Allowed 'General case' 0 N--CA 1.464 0.244 0 C-N-CA 123.425 0.69 . . . . 0.0 110.084 -170.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.425 ' HB ' ' O ' ' A' ' 131' ' ' GLU . 37.8 m 72.42 112.61 0.06 Allowed 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 107.599 -1.26 . . . . 0.0 107.599 -161.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.461 ' C ' ' H ' ' A' ' 135' ' ' LEU . 23.6 m -81.38 -19.09 11.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.587 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 -166.198 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 10.6 mp0 67.45 -9.69 0.4 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.714 0.405 . . . . 0.0 111.568 -174.452 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.461 ' H ' ' C ' ' A' ' 133' ' ' VAL . 1.4 tt -79.13 77.31 5.63 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.05 -1.092 . . . . 0.0 108.05 175.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -90.05 100.14 13.02 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.481 -0.781 . . . . 0.0 111.766 -170.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . 0.558 ' O ' ' HB2' ' A' ' 138' ' ' HIS . 78.9 t60 69.95 -6.46 1.08 Allowed 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.823 0.675 . . . . 0.0 112.823 170.406 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.558 ' HB2' ' O ' ' A' ' 137' ' ' HIS . 12.6 m-70 71.78 155.75 0.16 Allowed 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.832 0.453 . . . . 0.0 110.072 -171.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 5.3 p80 -67.29 121.16 15.1 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.162 0.506 . . . . 0.0 110.198 -178.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -98.64 134.03 42.15 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 179.28 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 32.8 t60 -151.64 139.66 20.1 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-O 121.069 0.462 . . . . 0.0 110.539 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 54.9 t-80 . . . . . 0 C--O 1.246 0.906 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.087 178.047 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.8 ttt . . . . . 0 N--CA 1.479 0.992 0 CA-C-O 120.74 0.305 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.62 100.68 2.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.508 -176.552 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -83.69 -16.65 44.19 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 174.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -57.35 -36.02 70.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.398 -0.819 . . . . 0.0 110.683 177.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 11.3 m 57.47 79.85 0.31 Allowed Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.626 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 36.0 Cg_endo -94.6 95.46 0.12 Allowed 'Trans proline' 0 N--CA 1.449 -1.09 0 C-N-CA 123.171 2.581 . . . . 0.0 112.177 178.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.429 ' CG ' ' N ' ' A' ' 8' ' ' SER . 38.8 t80 64.04 -176.47 0.16 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.027 -177.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.429 ' N ' ' CG ' ' A' ' 7' ' ' PHE . 22.8 m -77.15 69.2 3.4 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.277 0.561 . . . . 0.0 109.928 175.73 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.64 88.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.225 -0.898 . . . . 0.0 111.286 -177.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.714 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 9.4 mp -60.95 -52.25 65.81 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.319 179.132 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.447 ' O ' ' HG ' ' A' ' 15' ' ' LEU . 69.1 t-105 -61.24 -58.9 6.41 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.618 -0.719 . . . . 0.0 111.423 -175.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -53.63 -39.56 65.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.942 -0.572 . . . . 0.0 112.111 -177.56 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.457 ' HD3' ' HA ' ' A' ' 13' ' ' ARG . 34.1 mmt180 -73.07 -31.63 64.51 Favored 'General case' 0 C--N 1.33 -0.262 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 -177.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.714 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 77.9 mt -68.99 -30.43 68.84 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.177 0.513 . . . . 0.0 109.956 177.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.499 HD22 ' HG3' ' A' ' 21' ' ' PRO . 77.2 mt -63.14 -43.37 98.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.482 -0.781 . . . . 0.0 109.745 173.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.5 m -69.69 -26.64 64.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.969 178.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 30.9 ttm-85 -70.95 -24.78 62.49 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.598 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 110.47 27.14 4.54 Favored Glycine 0 C--N 1.331 0.276 0 C-N-CA 120.618 -0.801 . . . . 0.0 113.205 173.179 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.594 ' CZ3' HD22 ' A' ' 14' ' ' LEU . 52.2 m0 -99.43 144.05 28.98 Favored 'General case' 0 C--N 1.322 -0.63 0 CA-C-O 120.747 0.308 . . . . 0.0 110.694 177.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.421 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 56.6 tp60 -82.16 123.37 79.56 Favored Pre-proline 0 C--N 1.326 -0.443 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.115 -174.264 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.499 ' HG3' HD22 ' A' ' 15' ' ' LEU . 2.8 Cg_exo -74.97 107.73 2.55 Favored 'Trans proline' 0 N--CA 1.461 -0.417 0 C-N-CA 122.876 2.384 . . . . 0.0 111.062 175.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 20.8 m -109.65 156.19 10.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.33 0.586 . . . . 0.0 112.251 -174.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.445 ' HB2' HG22 ' A' ' 26' ' ' THR . 26.6 mt-10 -111.37 165.27 12.1 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.069 -0.969 . . . . 0.0 108.811 176.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.37 -27.81 68.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.099 0.476 . . . . 0.0 111.114 179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 10.8 p -76.8 -58.45 3.27 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.219 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.445 HG22 ' HB2' ' A' ' 23' ' ' GLU . 10.0 t -76.21 -20.22 57.66 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.3 -173.529 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.2 p -59.77 -37.54 71.84 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.236 0 C-N-CA 121.024 -0.271 . . . . 0.0 111.262 -176.626 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -62.68 -45.51 92.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.124 0.488 . . . . 0.0 110.335 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.3 t70 -69.91 -38.46 76.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.447 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 89.3 t90 -59.53 -48.7 80.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.689 177.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 95.1 mt -61.88 -43.13 96.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.421 178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 tmmm? -60.2 -30.21 69.23 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.284 176.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.422 HH11 ' HD2' ' A' ' 33' ' ' ARG . 20.2 ttt180 -80.39 -46.57 15.79 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.578 -176.153 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.4 m -82.64 -34.07 11.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-O 121.055 0.455 . . . . 0.0 111.283 -177.398 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 82.54 -55.28 4.98 Favored Glycine 0 N--CA 1.444 -0.825 0 N-CA-C 111.674 -0.571 . . . . 0.0 111.674 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -120.83 133.41 55.31 Favored 'General case' 0 C--N 1.317 -0.847 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 -175.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 167.92 177.88 39.51 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.268 -0.968 . . . . 0.0 112.482 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.408 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 29.4 m -130.03 140.49 48.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-O 121.144 0.497 . . . . 0.0 110.927 -179.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.535 HG13 ' HB3' ' A' ' 73' ' ' ALA . 3.4 mp -113.89 127.66 71.17 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.662 0 CA-C-N 115.763 -0.653 . . . . 0.0 109.922 178.184 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 66.7 mt -102.9 130.16 49.85 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.695 178.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.0 mt -82.48 159.2 22.94 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.149 176.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.5 t -56.1 114.69 2.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 121.092 0.472 . . . . 0.0 110.31 -179.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 9.4 m -84.42 53.09 2.53 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.945 -0.57 . . . . 0.0 111.357 -174.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.453 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 36.1 t70 -83.92 -52.45 0.57 Allowed Pre-proline 0 C--N 1.325 -0.485 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.352 177.028 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.638 ' HG2' ' HD3' ' A' ' 93' ' ' PRO . 49.1 Cg_endo -71.78 140.0 34.65 Favored 'Trans proline' 0 C--N 1.355 0.92 0 C-N-CA 121.801 1.667 . . . . 0.0 110.973 169.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.689 HH21 HD21 ' A' ' 10' ' ' LEU . 57.6 mtt85 -138.18 136.09 36.28 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.67 0.272 . . . . 0.0 110.925 -173.204 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 50.6 ttt-85 -70.65 -54.75 10.73 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 120.998 0.428 . . . . 0.0 110.306 176.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 22.1 p -110.37 136.94 20.53 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.019 -178.283 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -64.71 -21.96 64.57 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.734 2.29 . . . . 0.0 112.477 177.308 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -96.93 134.9 39.67 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.602 -0.272 . . . . 0.0 110.713 178.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 83.7 t 76.25 -32.55 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 C-N-CA 123.46 0.704 . . . . 0.0 112.872 169.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 22.6 t -77.36 9.52 3.15 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 111.762 0.282 . . . . 0.0 111.762 -174.067 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.496 ' C ' HD22 ' A' ' 54' ' ' ASN . 0.5 OUTLIER -64.41 -58.83 5.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.8 0.333 . . . . 0.0 111.112 178.206 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.496 HD22 ' C ' ' A' ' 53' ' ' ASP . 0.9 OUTLIER -125.7 137.84 30.78 Favored Pre-proline 0 C--N 1.326 -0.433 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.018 -175.656 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -77.14 93.54 1.08 Allowed 'Trans proline' 0 N--CA 1.459 -0.505 0 C-N-CA 122.509 2.139 . . . . 0.0 112.085 175.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 46.2 t -116.31 -27.23 2.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.411 -177.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 86.0 mtp -88.86 11.04 19.04 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.867 -174.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 10.4 tp -82.57 -14.67 12.03 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 CA-C-O 121.174 0.511 . . . . 0.0 110.184 177.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -73.04 -52.52 14.05 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.708 -0.678 . . . . 0.0 112.146 -173.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 pm0 -63.37 -28.63 70.13 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.806 0.336 . . . . 0.0 111.44 -179.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.499 HD11 ' SD ' ' A' ' 120' ' ' MET . 2.4 tm? -56.12 -56.59 18.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.805 179.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 11.0 mp -61.73 -22.65 65.55 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.7 -0.682 . . . . 0.0 112.164 -177.075 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 55.3 mtt180 -72.84 -11.64 60.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.575 0.226 . . . . 0.0 111.018 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -89.21 -12.48 40.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.87 0.367 . . . . 0.0 110.458 -175.304 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 -117.68 76.81 10.69 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 120.836 0.351 . . . . 0.0 110.623 178.206 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 90.4 Cg_endo -87.55 43.52 0.91 Allowed 'Trans proline' 0 N--CA 1.458 -0.586 0 C-N-CA 122.673 2.249 . . . . 0.0 112.004 -176.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 51.4 mt-30 -96.74 -41.57 8.42 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.065 179.039 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -117.57 178.89 4.22 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.047 -177.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -104.33 105.5 15.66 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 109.012 -0.736 . . . . 0.0 109.012 172.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 36.1 m95 -94.4 143.45 26.39 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.142 -175.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 21.0 mp0 -118.05 156.71 28.13 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.127 171.008 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 21.2 t -117.67 125.67 74.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.041 0.448 . . . . 0.0 110.252 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.535 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -118.55 153.88 33.48 Favored 'General case' 0 C--N 1.318 -0.783 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.37 179.633 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 2.7 m -129.52 146.21 34.54 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-O 121.077 0.465 . . . . 0.0 111.806 -178.268 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -102.56 129.44 49.11 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.42 -0.809 . . . . 0.0 110.154 175.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.488 ' OD2' ' HG ' ' A' ' 77' ' ' LEU . 21.3 t70 -46.96 -84.9 0.0 OUTLIER 'General case' 0 N--CA 1.474 0.731 0 O-C-N 124.002 0.814 . . . . 0.0 112.614 -176.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.488 ' HG ' ' OD2' ' A' ' 76' ' ' ASP . 4.0 pp -165.05 -41.04 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 108.85 -0.796 . . . . 0.0 108.85 173.702 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.403 ' N ' HD12 ' A' ' 77' ' ' LEU . 42.8 tt0 -68.98 -42.45 76.55 Favored 'General case' 0 C--N 1.328 -0.361 0 N-CA-C 108.997 -0.742 . . . . 0.0 108.997 171.337 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 85.1 mm-40 -62.79 -32.83 74.08 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 114.966 -1.016 . . . . 0.0 111.532 -179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.7 m -61.37 -36.28 79.79 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-O 120.524 0.202 . . . . 0.0 111.091 -178.229 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -62.46 -49.73 74.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.246 0.546 . . . . 0.0 110.189 178.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.29 -46.93 69.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.552 -0.749 . . . . 0.0 111.424 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 67.7 mt -61.88 -45.46 98.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.144 -178.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.407 ' HA2' HG12 ' A' ' 89' ' ' VAL . . . -60.81 -43.75 98.84 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.869 -0.681 . . . . 0.0 112.123 179.084 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -66.49 -42.25 87.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-O 120.921 0.391 . . . . 0.0 110.973 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 44.0 tpt85 -61.7 -38.47 87.97 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.835 -177.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 -93.21 0.8 57.22 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.195 -179.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 27.4 m-80 60.75 36.23 19.38 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-N 115.96 -0.563 . . . . 0.0 111.071 175.628 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.407 HG12 ' HA2' ' A' ' 84' ' ' GLY . 7.6 p -95.42 27.48 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.53 0.681 . . . . 0.0 110.342 -176.542 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.431 ' HB2' ' CE2' ' A' ' 92' ' ' PHE . 12.5 mmt85 66.5 -153.39 0.23 Allowed 'General case' 0 N--CA 1.463 0.197 0 CA-C-N 115.343 -0.844 . . . . 0.0 109.796 -177.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 17.6 ttm-85 -127.19 56.69 1.51 Allowed 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.915 0.388 . . . . 0.0 110.711 -177.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.431 ' CE2' ' HB2' ' A' ' 90' ' ' ARG . 54.5 p90 -144.24 154.43 57.41 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.979 -0.378 . . . . 0.0 109.979 176.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.638 ' HD3' ' HG2' ' A' ' 45' ' ' PRO . 21.2 Cg_endo -63.01 116.67 3.71 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.27 1.98 . . . . 0.0 112.467 179.179 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -143.56 144.81 32.1 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.639 179.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.421 ' HB ' ' HB3' ' A' ' 107' ' ' LEU . 17.0 m -76.85 126.65 31.34 Favored 'General case' 0 C--N 1.317 -0.836 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 177.255 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.408 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.3 mm? -91.33 123.86 35.09 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 176.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 47.0 t -102.44 105.37 17.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.474 -176.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.508 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 41.3 m-85 -107.9 137.73 45.39 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.853 -0.612 . . . . 0.0 111.336 -178.583 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -149.4 133.76 17.45 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.113 -0.949 . . . . 0.0 109.653 178.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 11.3 t70 65.31 15.11 9.84 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.689 0.757 . . . . 0.0 110.72 -176.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 85.34 0.43 88.42 Favored Glycine 0 N--CA 1.448 -0.505 0 CA-C-N 115.616 -0.72 . . . . 0.0 112.101 -177.168 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . 0.562 ' HD3' ' N ' ' A' ' 103' ' ' LEU . 12.7 tmtt? -112.03 144.63 41.07 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -177.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.562 ' N ' ' HD3' ' A' ' 102' ' ' LYS . 58.0 tp -78.98 110.5 14.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.539 -179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 24.5 mmm180 -77.98 -38.34 45.3 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.501 178.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 170.42 -173.74 44.36 Favored Glycine 0 N--CA 1.444 -0.778 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.089 178.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -117.83 166.12 12.85 Favored 'General case' 0 C--N 1.32 -0.68 0 N-CA-C 110.064 -0.347 . . . . 0.0 110.064 179.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.748 HD11 ' HG ' ' A' ' 116' ' ' LEU . 0.5 OUTLIER -130.97 101.06 5.46 Favored 'General case' 0 C--N 1.323 -0.557 0 N-CA-C 109.726 -0.472 . . . . 0.0 109.726 -177.958 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 33.7 t -90.03 154.23 19.98 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.682 175.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -83.74 79.55 1.9 Allowed Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.551 -0.833 . . . . 0.0 111.952 178.191 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.602 ' H ' HD12 ' A' ' 110' ' ' ILE . 3.8 mp -64.11 -46.03 94.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 121.451 0.643 . . . . 0.0 109.272 176.398 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.569 ' CD2' ' HG3' ' A' ' 115' ' ' GLU . 90.8 m-70 -142.0 150.41 55.95 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 108.243 -1.021 . . . . 0.0 108.243 174.57 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 26.5 Cg_exo -63.06 102.88 0.33 Allowed 'Trans proline' 0 C--O 1.236 0.407 0 C-N-CA 122.367 2.044 . . . . 0.0 111.798 178.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 23.9 t-105 61.12 -168.84 0.17 Allowed 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.64 -0.709 . . . . 0.0 110.63 -178.695 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 67.93 -72.95 0.09 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.63 0.772 . . . . 0.0 111.666 178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.569 ' HG3' ' CD2' ' A' ' 111' ' ' HIS . 34.1 mm-40 -63.78 -29.26 70.49 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.074 0.464 . . . . 0.0 110.557 -177.452 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.748 ' HG ' HD11 ' A' ' 107' ' ' LEU . 6.5 tt -55.84 -45.59 78.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.22 -0.9 . . . . 0.0 110.734 -179.182 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.615 ' O ' ' HB2' ' A' ' 121' ' ' ARG . 3.4 mm? -58.28 -46.44 86.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.575 -176.151 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.5 m -70.12 -39.36 75.49 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.324 -177.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.405 HD22 ' HA ' ' A' ' 119' ' ' LEU . 1.3 tm? -70.96 -50.81 30.46 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 120.876 0.37 . . . . 0.0 110.636 -176.536 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.499 ' SD ' HD11 ' A' ' 61' ' ' LEU . 28.3 ttt -70.08 -22.78 63.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.834 -177.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.615 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 39.2 ttt180 -55.56 -43.97 76.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.593 179.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 36.4 t -75.47 -29.92 59.76 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.72 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 47.7 mm -62.9 -48.31 88.65 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.966 -179.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 35.6 m -95.33 13.92 3.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.695 -176.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -58.7 -65.06 0.72 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.209 -176.546 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 61.9 m 68.97 113.29 0.03 OUTLIER Pre-proline 0 CA--C 1.534 0.356 0 CA-C-O 121.175 0.512 . . . . 0.0 112.141 176.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 57.5 Cg_endo -71.49 178.52 5.53 Favored 'Trans proline' 0 C--O 1.236 0.387 0 C-N-CA 122.381 2.054 . . . . 0.0 111.809 176.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -80.95 65.95 6.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 121.144 0.497 . . . . 0.0 111.226 -176.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -91.39 -26.92 18.65 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.399 0.619 . . . . 0.0 109.648 174.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 53.9 tt0 -110.69 -23.76 10.88 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.88 177.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 61.37 88.49 0.09 Allowed 'General case' 0 C--O 1.233 0.231 0 CA-C-N 115.413 -0.812 . . . . 0.0 110.743 -176.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 5.2 t -91.81 117.3 29.65 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.26 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 4.1 p -127.98 119.22 50.69 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.553 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.464 -178.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 64.3 83.48 0.16 Allowed 'General case' 0 C--O 1.232 0.161 0 CA-C-N 115.434 -0.803 . . . . 0.0 110.936 -179.305 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 22.5 tp -136.69 18.3 3.08 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.443 0.64 . . . . 0.0 109.85 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -72.17 105.1 3.85 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.017 -177.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -92.02 91.45 7.84 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 174.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -77.31 122.88 25.73 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.507 -176.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 9.3 p-80 -75.12 147.02 40.9 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.172 179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 29.8 t60 -88.88 -55.32 3.74 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.864 -0.421 . . . . 0.0 109.864 -179.71 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 177.49 -53.44 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.383 0 N-CA-C 108.746 -0.835 . . . . 0.0 108.746 -179.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 41.2 t60 . . . . . 0 C--O 1.245 0.848 0 CA-C-N 114.904 -1.044 . . . . 0.0 108.492 175.543 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.2 ptt? . . . . . 0 N--CA 1.481 1.119 0 CA-C-O 120.716 0.293 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -176.28 -56.71 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 108.065 -1.087 . . . . 0.0 108.065 177.497 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.1 m120 65.81 77.13 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 114.686 -1.143 . . . . 0.0 112.347 169.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -136.3 -48.97 0.66 Allowed 'General case' 0 C--N 1.319 -0.741 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 172.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.4 m 56.95 78.7 0.36 Allowed Pre-proline 0 C--O 1.235 0.337 0 CA-C-N 114.739 -1.119 . . . . 0.0 111.719 174.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 97.9 Cg_endo -80.38 -165.15 0.32 Allowed 'Trans proline' 0 N--CA 1.459 -0.529 0 C-N-CA 122.516 2.144 . . . . 0.0 111.591 176.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.3 t80 -49.6 -52.56 29.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.974 177.766 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.407 ' HB2' ' HB3' ' A' ' 11' ' ' TRP . 17.6 m 66.66 104.07 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.217 0 O-C-N 123.797 0.685 . . . . 0.0 111.554 176.803 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.415 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -60.0 -47.51 85.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.659 -0.7 . . . . 0.0 111.94 -175.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.575 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 93.4 mt -67.67 -33.95 75.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.252 -178.163 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.538 ' CZ3' ' HA ' ' A' ' 76' ' ' ASP . 67.6 t-105 -59.15 -58.12 10.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.746 -174.525 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -53.73 -42.36 68.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.529 -0.305 . . . . 0.0 111.048 179.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.415 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 17.8 mmm180 -61.79 -28.22 69.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.405 -0.361 . . . . 0.0 111.404 -177.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.575 ' HG ' ' O ' ' A' ' 10' ' ' LEU . 69.3 mt -73.46 -45.83 51.89 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.745 -0.465 . . . . 0.0 109.745 176.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.5 mt -64.36 -47.17 80.3 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.011 -179.019 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.7 m -59.9 -25.74 65.34 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.108 -179.512 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.489 ' HD2' ' CZ2' ' A' ' 19' ' ' TRP . 7.5 ttm180 -70.34 -11.88 61.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.372 -179.155 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.26 29.39 4.54 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 121.082 -0.58 . . . . 0.0 112.159 179.146 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.502 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 33.9 m0 -107.55 144.27 34.8 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 120.83 0.347 . . . . 0.0 110.773 -178.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.0 mt-30 -107.35 133.44 20.36 Favored Pre-proline 0 N--CA 1.448 -0.562 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.874 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.1 Cg_endo -75.86 123.59 7.5 Favored 'Trans proline' 0 N--CA 1.46 -0.448 0 C-N-CA 122.342 2.028 . . . . 0.0 111.476 174.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 18.1 m -111.08 158.19 11.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-O 121.196 0.522 . . . . 0.0 111.689 -177.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -114.78 168.95 9.44 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.399 -0.819 . . . . 0.0 109.621 -179.323 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.411 ' HA ' HG12 ' A' ' 83' ' ' ILE . . . -65.98 -36.59 83.73 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-O 120.937 0.398 . . . . 0.0 111.033 -177.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.8 p -100.1 4.35 44.53 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.393 -178.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 8.3 m -116.83 -20.14 9.58 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.828 0.347 . . . . 0.0 110.971 -178.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.463 ' O ' HG13 ' A' ' 31' ' ' ILE . 11.4 p -61.56 -36.78 75.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-N 116.532 -0.304 . . . . 0.0 111.485 -176.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.423 ' HA ' HD12 ' A' ' 31' ' ' ILE . 7.4 p-10 -66.26 -29.31 69.52 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 121.076 0.465 . . . . 0.0 110.641 -178.54 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -74.55 -38.97 62.57 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.013 177.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 80.7 t90 -65.42 -43.31 90.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.347 178.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.463 HG13 ' O ' ' A' ' 27' ' ' VAL . 84.9 mt -56.28 -46.63 81.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.187 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.713 177.227 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.437 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.3 OUTLIER -63.98 -27.59 69.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.652 -0.704 . . . . 0.0 111.092 178.712 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.53 -44.06 25.26 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.921 -176.643 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.2 m -86.31 -42.72 15.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 112.507 0.558 . . . . 0.0 112.507 -176.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.65 -54.07 4.36 Favored Glycine 0 N--CA 1.447 -0.627 0 C-N-CA 120.81 -0.709 . . . . 0.0 111.447 -176.106 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 22.2 m-20 -124.94 141.25 52.25 Favored 'General case' 0 C--N 1.322 -0.602 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 179.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 163.89 -178.49 39.3 Favored Glycine 0 N--CA 1.448 -0.506 0 C-N-CA 120.387 -0.911 . . . . 0.0 112.565 179.454 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 17.0 m -131.99 139.76 49.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-O 121.035 0.445 . . . . 0.0 110.933 -179.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.448 ' HB ' ' HB2' ' A' ' 96' ' ' LEU . 3.3 mp -109.8 124.92 66.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.055 178.556 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 90.7 mt -101.49 121.57 42.2 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.492 178.549 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 88.2 mt -76.79 159.45 30.1 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.275 -0.639 . . . . 0.0 109.275 173.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.563 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 10.4 t -53.32 113.65 1.22 Allowed 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 109.947 -0.39 . . . . 0.0 109.947 178.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 11.7 m -80.07 94.02 5.88 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.107 -177.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -84.41 118.11 70.35 Favored Pre-proline 0 C--N 1.322 -0.593 0 CA-C-N 115.632 -0.713 . . . . 0.0 109.695 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.497 ' HA ' ' OD1' ' A' ' 53' ' ' ASP . 26.3 Cg_exo -62.83 83.79 0.11 Allowed 'Trans proline' 0 C--O 1.236 0.384 0 C-N-CA 122.967 2.444 . . . . 0.0 112.315 -178.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 -125.66 8.0 7.58 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.055 179.548 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -75.39 -66.18 0.8 Allowed 'General case' 0 C--N 1.329 -0.323 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 178.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.555 HG23 ' H ' ' A' ' 51' ' ' VAL . 2.0 t -159.75 146.38 12.31 Favored Pre-proline 0 N--CA 1.448 -0.568 0 CA-C-N 114.811 -1.086 . . . . 0.0 109.641 -179.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -67.65 -12.86 37.0 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.547 2.164 . . . . 0.0 112.01 175.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 27.7 mt-10 -75.59 -63.22 1.34 Allowed 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.548 0.689 . . . . 0.0 110.331 178.267 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.555 ' H ' HG23 ' A' ' 48' ' ' THR . 39.2 t -111.25 106.63 21.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.299 -0.864 . . . . 0.0 110.097 -178.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 23.0 t -78.03 134.38 37.79 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 177.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.497 ' OD1' ' HA ' ' A' ' 45' ' ' PRO . 7.7 p-10 -76.78 84.71 3.38 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.97 0.89 . . . . 0.0 110.841 -179.515 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 86.6 m-20 -96.25 138.4 21.57 Favored Pre-proline 0 C--N 1.323 -0.579 0 CA-C-N 115.007 -0.997 . . . . 0.0 110.15 178.16 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -72.68 44.95 0.8 Allowed 'Trans proline' 0 CA--C 1.535 0.54 0 C-N-CA 123.094 2.529 . . . . 0.0 112.424 176.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.434 ' HA ' HH12 ' A' ' 17' ' ' ARG . 7.2 p -100.72 -10.73 8.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-O 121.3 0.571 . . . . 0.0 110.591 -176.757 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 66.0 mtm -110.85 4.99 20.25 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.124 -175.128 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.1 tp -81.52 -20.49 10.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.653 0 CA-C-O 121.039 0.447 . . . . 0.0 110.751 -177.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.496 ' O ' ' HG ' ' A' ' 62' ' ' LEU . . . -69.28 -49.39 56.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.123 -176.4 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.456 ' CD ' ' H ' ' A' ' 60' ' ' GLU . 1.7 pm0 -59.81 -29.91 68.56 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.305 177.612 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.897 HD11 ' HG3' ' A' ' 120' ' ' MET . 2.4 tm? -69.31 -57.49 5.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.151 178.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 59' ' ' ALA . 4.0 pp -61.98 -36.18 80.7 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.716 -0.675 . . . . 0.0 111.786 -175.323 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.6 ptt180 -73.96 2.61 8.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.729 -176.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 32.6 tt0 -91.09 -13.94 32.17 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.916 -0.314 . . . . 0.0 110.519 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -115.23 82.72 9.39 Favored Pre-proline 0 C--N 1.327 -0.379 0 C-N-CA 120.935 -0.306 . . . . 0.0 110.897 -178.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -86.38 43.14 1.03 Allowed 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.726 2.284 . . . . 0.0 112.208 -177.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -101.21 -44.72 5.59 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.848 -0.615 . . . . 0.0 109.597 178.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.475 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 4.2 m-85 -108.94 171.43 7.43 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.7 -0.682 . . . . 0.0 109.632 178.779 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -99.77 93.14 5.65 Favored 'General case' 0 C--N 1.321 -0.654 0 N-CA-C 109.236 -0.653 . . . . 0.0 109.236 173.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.475 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 36.7 m95 -82.14 137.11 35.04 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.792 -0.64 . . . . 0.0 111.151 -174.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 -121.52 148.22 44.76 Favored 'General case' 0 C--N 1.313 -0.996 0 CA-C-N 115.016 -0.993 . . . . 0.0 108.345 170.138 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.502 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 28.3 t -108.22 131.57 58.32 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.798 0 CA-C-O 120.922 0.391 . . . . 0.0 110.332 -178.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.447 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -114.82 147.69 39.5 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.123 177.388 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 11.0 m -118.7 137.38 52.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.724 0 CA-C-O 120.982 0.42 . . . . 0.0 110.773 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.404 ' HB1' HD12 ' A' ' 83' ' ' ILE . . . -87.69 17.66 4.55 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.764 -0.653 . . . . 0.0 111.243 -178.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.538 ' HA ' ' CZ3' ' A' ' 11' ' ' TRP . 25.2 t70 61.12 -107.44 0.29 Allowed 'General case' 0 CA--C 1.535 0.388 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.669 178.397 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.563 ' HA ' ' HB2' ' A' ' 42' ' ' SER . 5.3 mp -148.71 -58.05 0.22 Allowed 'General case' 0 C--N 1.324 -0.528 0 N-CA-C 109.107 -0.701 . . . . 0.0 109.107 176.044 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.9 tm-20 -61.29 -50.31 73.54 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 114.936 -1.029 . . . . 0.0 110.342 -177.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.529 ' NE2' ' H ' ' A' ' 79' ' ' GLN . 2.2 mp0 -67.35 -23.75 65.64 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.45 -0.796 . . . . 0.0 111.987 -176.092 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 59.3 m -54.37 -39.95 67.68 Favored 'General case' 0 C--N 1.327 -0.371 0 N-CA-C 112.373 0.508 . . . . 0.0 112.373 -175.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -68.88 -40.53 79.17 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.88 0.371 . . . . 0.0 110.329 -179.05 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.54 -41.74 79.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.865 178.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.411 HG12 ' HA ' ' A' ' 24' ' ' ALA . 65.2 mt -67.14 -40.61 85.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.428 178.212 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.74 -38.15 95.99 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.919 -0.657 . . . . 0.0 111.524 174.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -63.29 -37.79 88.61 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.225 0.536 . . . . 0.0 110.602 175.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 25.2 tpt180 -67.38 -35.32 79.09 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.267 -0.879 . . . . 0.0 111.303 -177.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -98.68 -2.13 39.05 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.623 0.249 . . . . 0.0 111.221 -179.675 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 36.9 m-80 66.5 27.64 9.68 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.159 178.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 60.9 t -128.43 112.68 27.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 115.549 -0.75 . . . . 0.0 109.635 179.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.426 ' O ' ' HB3' ' A' ' 91' ' ' ARG . 13.4 ptt180 -156.32 -165.95 2.03 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.825 -0.171 . . . . 0.0 111.337 -175.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.426 ' HB3' ' O ' ' A' ' 90' ' ' ARG . 52.2 ttp180 74.62 -50.6 0.67 Allowed 'General case' 0 N--CA 1.47 0.527 0 O-C-N 124.037 0.836 . . . . 0.0 110.771 -177.309 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 85.1 m-85 -114.54 123.78 31.7 Favored Pre-proline 0 C--N 1.321 -0.672 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 175.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -57.66 122.48 11.83 Favored 'Trans proline' 0 C--O 1.237 0.447 0 C-N-CA 122.512 2.142 . . . . 0.0 111.492 177.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.494 ' HB1' ' H ' ' A' ' 108' ' ' SER . . . -138.28 153.89 49.05 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.959 -0.564 . . . . 0.0 111.188 -173.112 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 8.6 m -84.36 126.74 33.5 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.432 -0.804 . . . . 0.0 110.195 175.492 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.448 ' HB2' ' HB ' ' A' ' 39' ' ' ILE . 3.6 mm? -92.35 124.56 36.5 Favored 'General case' 0 C--N 1.32 -0.697 0 N-CA-C 109.162 -0.681 . . . . 0.0 109.162 173.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.532 HG11 HG21 ' A' ' 123' ' ' ILE . 28.0 t -102.72 117.52 48.23 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.683 0 CA-C-O 121.092 0.472 . . . . 0.0 110.889 -175.124 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.401 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 23.9 m-85 -114.99 135.86 53.76 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.683 -0.69 . . . . 0.0 111.337 -179.799 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.32 138.01 19.9 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.247 -0.888 . . . . 0.0 109.492 176.651 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 61.99 23.94 14.18 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 123.339 0.399 . . . . 0.0 110.643 -176.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 71.41 15.63 75.16 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 121.03 -0.605 . . . . 0.0 112.161 -175.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 42.3 mmtm -118.6 144.96 45.77 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 120.868 0.366 . . . . 0.0 110.696 -178.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.401 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 58.8 tp -86.02 122.42 30.03 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.981 -0.554 . . . . 0.0 109.919 177.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 36.4 mmt180 -86.58 -31.55 21.14 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 109.621 -0.511 . . . . 0.0 109.621 178.031 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 147.75 -168.69 28.65 Favored Glycine 0 N--CA 1.444 -0.824 0 CA-C-N 115.39 -0.823 . . . . 0.0 111.581 178.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -106.33 168.46 9.14 Favored 'General case' 0 C--N 1.322 -0.605 0 N-CA-C 110.132 -0.322 . . . . 0.0 110.132 178.179 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.401 HD22 ' HA ' ' A' ' 107' ' ' LEU . 0.2 OUTLIER -91.29 -39.29 12.14 Favored 'General case' 0 C--N 1.324 -0.537 0 N-CA-C 109.84 -0.429 . . . . 0.0 109.84 179.65 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.494 ' H ' ' HB1' ' A' ' 94' ' ' ALA . 50.1 m 56.23 29.89 15.64 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.863 -178.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -62.76 110.01 3.04 Favored Glycine 0 N--CA 1.448 -0.563 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.804 -177.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 16.8 tt -109.25 -10.78 11.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.592 0 CA-C-O 121.734 0.778 . . . . 0.0 109.041 175.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.416 ' HA ' ' HD3' ' A' ' 112' ' ' PRO . 27.9 m170 -108.43 133.03 20.73 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.068 -0.969 . . . . 0.0 108.866 176.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 111' ' ' HIS . 80.4 Cg_exo -48.75 -73.72 0.04 OUTLIER 'Trans proline' 0 N--CA 1.476 0.465 0 C-N-CA 123.473 2.782 . . . . 0.0 114.08 -171.53 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 6.5 t-105 -148.66 119.84 7.78 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 120.669 -0.412 . . . . 0.0 111.148 -179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 178.59 -70.29 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 114.962 -1.017 . . . . 0.0 109.501 176.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -74.46 -17.3 60.8 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.302 -178.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 1.6 tt -57.93 -39.75 78.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.435 -177.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 95.2 mt -61.94 -50.83 70.57 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 177.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.1 m -57.38 -50.17 73.83 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.143 179.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -61.16 -49.58 76.66 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.134 -179.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.897 ' HG3' HD11 ' A' ' 61' ' ' LEU . 11.7 mmt -58.97 -39.87 83.06 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 111.702 0.26 . . . . 0.0 111.702 179.494 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.416 ' HA ' HG22 ' A' ' 124' ' ' VAL . 25.1 mmt180 -64.33 -39.97 94.96 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 121.059 0.457 . . . . 0.0 111.007 179.538 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 22.7 t -65.36 -30.4 71.23 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.648 176.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.532 HG21 HG11 ' A' ' 97' ' ' VAL . 81.5 mt -78.07 -47.21 25.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.373 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' A' ' 121' ' ' ARG . 32.9 m -75.1 0.16 2.26 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.243 0 CA-C-O 121.018 0.437 . . . . 0.0 111.329 -178.702 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -66.87 -46.16 75.86 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.597 175.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.571 ' HB ' ' HD2' ' A' ' 127' ' ' PRO . 68.1 p 59.76 162.3 0.1 OUTLIER Pre-proline 0 N--CA 1.475 0.804 0 C-N-CA 124.806 1.242 . . . . 0.0 113.233 173.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.571 ' HD2' ' HB ' ' A' ' 126' ' ' THR . 32.7 Cg_endo -67.22 -13.54 39.93 Favored 'Trans proline' 0 C--N 1.348 0.552 0 C-N-CA 122.504 2.136 . . . . 0.0 112.378 175.103 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 60.32 97.11 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.323 0 C-N-CA 123.348 0.659 . . . . 0.0 112.288 176.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . 53.66 76.48 0.22 Allowed 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.231 179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 28.2 tp60 -122.24 -76.02 0.59 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.155 -177.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -144.46 100.39 3.52 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.141 0.496 . . . . 0.0 110.513 177.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 61.5 m -130.98 102.7 6.15 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 115.755 -0.657 . . . . 0.0 109.762 178.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 26.9 m -77.23 150.83 5.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.436 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -144.03 91.32 2.2 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.537 -0.301 . . . . 0.0 110.59 -178.259 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.646 ' HG ' ' HB3' ' A' ' 138' ' ' HIS . 6.0 tt 62.57 99.71 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.34 0 O-C-N 123.852 0.72 . . . . 0.0 111.131 176.102 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -95.2 -76.22 0.5 Allowed 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.13 0.49 . . . . 0.0 109.973 177.41 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 82.2 t60 -114.21 8.85 16.96 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.343 0.592 . . . . 0.0 109.593 179.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.646 ' HB3' ' HG ' ' A' ' 135' ' ' LEU . 16.8 t60 -60.92 113.6 2.61 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.322 -0.853 . . . . 0.0 110.658 -178.336 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -76.37 140.29 41.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.935 178.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 10.4 t60 -72.45 120.15 17.67 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.59 -0.732 . . . . 0.0 110.465 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 -113.19 143.24 44.72 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.118 -0.492 . . . . 0.0 109.905 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 31.0 m170 . . . . . 0 C--O 1.243 0.748 0 CA-C-O 118.586 -0.721 . . . . 0.0 109.25 173.906 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptm . . . . . 0 N--CA 1.479 1.022 0 CA-C-O 120.876 0.37 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -121.62 -55.66 1.91 Allowed 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.08 -0.509 . . . . 0.0 109.641 173.589 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 11.4 p30 -171.4 -44.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.541 -0.754 . . . . 0.0 110.43 174.672 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 31.6 t70 68.43 110.42 0.05 OUTLIER 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 123.556 0.742 . . . . 0.0 111.94 175.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.464 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 3.0 m -96.16 118.08 65.82 Favored Pre-proline 0 C--N 1.32 -0.694 0 CA-C-N 115.716 -0.675 . . . . 0.0 110.122 178.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.464 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 3.8 Cg_endo -85.68 -6.32 8.83 Favored 'Trans proline' 0 N--CA 1.459 -0.526 0 C-N-CA 122.916 2.411 . . . . 0.0 112.605 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 99.8 m-85 -125.42 -174.97 3.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.172 -178.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.3 t 66.33 85.6 0.14 Allowed 'General case' 0 C--N 1.333 -0.152 0 O-C-N 123.77 0.668 . . . . 0.0 109.749 -177.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.41 -38.31 89.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.691 -174.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 10.2 tt -63.19 -29.14 70.54 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.369 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 40.0 t-105 -86.48 -53.82 4.77 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.274 178.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -58.95 -25.84 63.88 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.468 -174.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.69 ' HG3' HD22 ' A' ' 14' ' ' LEU . 26.2 ptt180 -58.69 -29.57 66.74 Favored 'General case' 0 CA--C 1.533 0.296 0 CA-C-O 120.503 0.192 . . . . 0.0 111.404 -179.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.69 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.2 mm? -74.36 -32.71 62.87 Favored 'General case' 0 C--N 1.333 -0.115 0 CA-C-O 121.109 0.481 . . . . 0.0 110.203 178.378 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.44 ' HA ' ' O ' ' A' ' 19' ' ' TRP . 20.7 mt -69.28 -35.28 75.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.822 -0.626 . . . . 0.0 109.954 -177.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 37.7 m -61.86 -25.32 67.47 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.23 -0.895 . . . . 0.0 111.453 178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 31.4 ttm180 -76.43 -4.36 42.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.943 0.401 . . . . 0.0 110.801 -178.239 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 101.91 10.58 39.71 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.969 -0.634 . . . . 0.0 111.932 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.56 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 42.2 m0 -96.54 131.82 42.77 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 120.855 0.359 . . . . 0.0 110.502 -177.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.0 mp0 -80.79 134.67 53.19 Favored Pre-proline 0 N--CA 1.449 -0.505 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.397 -175.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 64.9 Cg_endo -79.31 100.98 1.37 Allowed 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.559 2.173 . . . . 0.0 111.557 176.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.0 m -99.78 163.44 2.85 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.821 0 CA-C-O 121.963 0.887 . . . . 0.0 111.797 -177.412 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -118.35 -164.17 1.0 Allowed 'General case' 0 N--CA 1.435 -1.185 0 CA-C-N 114.091 -1.413 . . . . 0.0 109.986 -172.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -88.11 -29.98 20.2 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-O 121.272 0.558 . . . . 0.0 110.099 179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.0 t -95.65 -49.86 5.19 Favored 'General case' 0 N--CA 1.449 -0.505 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.094 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 24.8 p -71.64 -13.75 61.85 Favored 'General case' 0 C--N 1.332 -0.183 0 N-CA-C 112.632 0.605 . . . . 0.0 112.632 -173.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 14.4 p -62.16 -30.47 48.87 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.234 0 CA-C-O 120.777 0.322 . . . . 0.0 110.74 -179.892 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -67.96 -45.93 72.84 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.127 0.489 . . . . 0.0 109.889 -179.034 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -69.2 -37.03 77.89 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.488 -0.778 . . . . 0.0 110.545 -178.353 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.422 ' O ' HG22 ' A' ' 34' ' ' VAL . 90.5 t90 -55.97 -49.8 72.57 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.673 178.662 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 87.0 mt -60.1 -45.5 95.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 115.958 -0.565 . . . . 0.0 110.636 179.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 34.8 tttm -58.39 -37.25 74.91 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.72 -0.673 . . . . 0.0 111.027 178.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 60.2 ttt-85 -75.61 -46.12 33.55 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.362 -0.835 . . . . 0.0 111.57 -173.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.422 HG22 ' O ' ' A' ' 30' ' ' TRP . 33.3 m -85.73 -37.06 11.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 115.809 -0.632 . . . . 0.0 112.019 -174.02 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.73 -53.67 4.73 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 121.049 -0.596 . . . . 0.0 111.903 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -115.43 123.7 49.27 Favored 'General case' 0 C--N 1.317 -0.824 0 N-CA-C 109.907 -0.405 . . . . 0.0 109.907 -178.481 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 176.18 173.49 41.88 Favored Glycine 0 N--CA 1.446 -0.677 0 C-N-CA 120.485 -0.864 . . . . 0.0 112.479 -178.686 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 13.6 m -132.58 139.58 49.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-O 120.963 0.411 . . . . 0.0 110.998 -179.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 4.6 mp -104.47 125.46 59.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.905 177.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.486 ' HB2' HG12 ' A' ' 74' ' ' VAL . 23.5 mt -102.12 128.2 48.71 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.416 176.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 82.4 mt -81.44 154.1 26.55 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.367 -0.605 . . . . 0.0 109.367 173.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.423 ' CB ' ' HA ' ' A' ' 77' ' ' LEU . 48.3 t -52.66 127.3 22.57 Favored 'General case' 0 C--N 1.324 -0.54 0 O-C-N 123.481 0.488 . . . . 0.0 110.687 179.021 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.5 m -54.52 101.06 0.04 OUTLIER 'General case' 0 N--CA 1.454 -0.264 0 O-C-N 123.784 0.678 . . . . 0.0 111.348 -179.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -139.39 125.72 12.34 Favored Pre-proline 0 C--N 1.323 -0.569 0 N-CA-C 108.591 -0.892 . . . . 0.0 108.591 177.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 11.9 Cg_endo -56.07 -43.54 55.56 Favored 'Trans proline' 0 CA--C 1.528 0.21 0 C-N-CA 122.867 2.378 . . . . 0.0 112.693 -176.403 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.433 HH11 ' HD3' ' A' ' 46' ' ' ARG . 61.9 mtt-85 49.82 86.88 0.03 OUTLIER 'General case' 0 C--O 1.234 0.264 0 O-C-N 123.681 0.613 . . . . 0.0 112.004 -177.627 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 66.2 mtp180 75.1 -61.58 0.48 Allowed 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.218 -0.901 . . . . 0.0 112.087 178.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.435 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 20.6 p -123.94 119.09 26.77 Favored Pre-proline 0 C--N 1.323 -0.559 0 N-CA-C 111.788 0.292 . . . . 0.0 111.788 -174.522 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.435 ' HD3' ' HA ' ' A' ' 48' ' ' THR . 5.7 Cg_exo -78.41 15.41 1.4 Allowed 'Trans proline' 0 C--N 1.344 0.326 0 C-N-CA 123.46 2.773 . . . . 0.0 112.176 177.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.455 ' O ' ' HB ' ' A' ' 51' ' ' VAL . 36.5 tt0 -60.78 136.31 58.03 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.706 178.368 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.455 ' HB ' ' O ' ' A' ' 50' ' ' GLU . 88.5 t 79.18 -30.26 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.772 0 C-N-CA 123.316 0.647 . . . . 0.0 110.212 -174.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.415 ' H ' ' C ' ' A' ' 50' ' ' GLU . 25.9 t 77.44 -93.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 123.873 0.869 . . . . 0.0 112.369 171.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.579 ' OD2' ' HD3' ' A' ' 55' ' ' PRO . 20.3 t70 -177.36 -82.78 0.0 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 -170.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 53.52 73.45 0.92 Allowed Pre-proline 0 N--CA 1.469 0.486 0 C-N-CA 123.042 0.537 . . . . 0.0 112.122 176.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.579 ' HD3' ' OD2' ' A' ' 53' ' ' ASP . 97.5 Cg_endo -79.08 2.52 8.23 Favored 'Trans proline' 0 C--N 1.344 0.3 0 C-N-CA 122.633 2.222 . . . . 0.0 112.32 -176.476 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 48.3 t -101.15 -21.73 5.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-O 121.456 0.646 . . . . 0.0 109.604 176.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 13.3 tpt -80.92 -23.48 38.89 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.657 -0.701 . . . . 0.0 110.144 -179.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 15.1 tt -67.0 -18.8 24.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.095 -179.133 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.31 -46.21 91.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.988 0.423 . . . . 0.0 110.433 177.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -64.16 -30.88 71.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.46 178.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.411 HD21 HD22 ' A' ' 116' ' ' LEU . 0.8 OUTLIER -59.38 -57.36 13.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.222 0.534 . . . . 0.0 110.035 179.5 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 92.6 mt -68.39 -27.38 66.17 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.629 -0.714 . . . . 0.0 111.739 -176.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 84.2 mtt180 -67.87 -13.24 61.98 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.601 179.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -82.71 -9.55 59.31 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -117.75 81.42 15.11 Favored Pre-proline 0 N--CA 1.452 -0.327 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.0 176.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_endo -83.79 13.71 2.61 Favored 'Trans proline' 0 N--CA 1.462 -0.344 0 C-N-CA 122.973 2.448 . . . . 0.0 112.037 -177.33 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 43.6 mt-30 -67.32 -43.13 82.36 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.316 -0.856 . . . . 0.0 110.113 -179.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -124.72 166.91 15.33 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.674 -0.694 . . . . 0.0 109.739 -178.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -92.75 100.48 12.96 Favored 'General case' 0 C--N 1.323 -0.581 0 N-CA-C 108.543 -0.91 . . . . 0.0 108.543 168.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 36.9 m95 -76.33 148.85 37.18 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.54 -172.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.3 133.28 54.17 Favored 'General case' 0 C--N 1.315 -0.898 0 CA-C-N 115.087 -0.96 . . . . 0.0 109.138 175.25 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.56 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 17.0 t -104.43 126.03 59.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 N-CA-C 109.793 -0.447 . . . . 0.0 109.793 -178.231 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -112.77 134.7 54.16 Favored 'General case' 0 C--N 1.314 -0.947 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.067 178.334 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.486 HG12 ' HB2' ' A' ' 40' ' ' LEU . 6.2 m -118.63 149.71 21.02 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.745 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.666 -179.533 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.492 ' HB1' ' HB3' ' A' ' 79' ' ' GLN . . . -119.84 146.55 45.63 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.917 -179.089 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -58.32 160.34 5.29 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.708 175.04 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.463 ' H ' HD23 ' A' ' 77' ' ' LEU . 2.6 pt? -58.94 -33.59 70.79 Favored 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.936 -0.305 . . . . 0.0 111.387 -174.674 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -77.55 -44.1 29.71 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.129 0.49 . . . . 0.0 109.993 176.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.492 ' HB3' ' HB1' ' A' ' 75' ' ' ALA . 0.8 OUTLIER -56.5 -36.26 68.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.04 178.494 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 49.7 m -61.49 -35.62 78.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.343 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 34.0 tp10 -69.66 -40.35 76.51 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.148 0.499 . . . . 0.0 109.693 179.504 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -67.59 -45.94 74.04 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.675 -0.693 . . . . 0.0 111.16 178.439 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 62.9 mt -64.84 -37.29 79.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.992 0.425 . . . . 0.0 110.45 177.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.4 -31.33 76.96 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.954 -0.641 . . . . 0.0 111.799 175.551 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -76.07 -47.31 25.09 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 109.86 -0.422 . . . . 0.0 109.86 175.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 15.3 tpt180 -52.01 -39.55 59.64 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.549 -0.75 . . . . 0.0 112.229 -178.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -102.84 -9.58 19.81 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.692 0.282 . . . . 0.0 110.715 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 26.4 m-80 55.69 62.01 2.59 Favored 'General case' 0 CA--C 1.516 -0.351 0 CA-C-O 122.127 0.965 . . . . 0.0 111.224 -174.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.455 HG21 HD11 ' A' ' 96' ' ' LEU . 12.0 t -125.0 17.82 4.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.819 0 CA-C-N 114.251 -1.34 . . . . 0.0 108.159 176.025 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.4 ttm-85 -73.72 81.74 1.58 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 114.952 -1.022 . . . . 0.0 111.129 -175.411 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 58.2 mtm180 -141.56 -45.17 0.36 Allowed 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.077 177.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.459 ' HB2' ' HD2' ' A' ' 93' ' ' PRO . 46.3 p90 -154.65 163.89 22.79 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.751 -0.659 . . . . 0.0 109.268 -179.209 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.459 ' HD2' ' HB2' ' A' ' 92' ' ' PHE . 23.5 Cg_endo -61.61 127.76 22.63 Favored 'Trans proline' 0 C--N 1.347 0.451 0 C-N-CA 122.398 2.066 . . . . 0.0 111.401 175.246 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -153.51 156.19 37.62 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.961 0.41 . . . . 0.0 111.029 -173.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.8 m -99.75 132.74 44.9 Favored 'General case' 0 C--N 1.32 -0.717 0 CA-C-N 115.545 -0.752 . . . . 0.0 109.282 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.455 HD11 HG21 ' A' ' 89' ' ' VAL . 3.4 mm? -91.53 124.51 35.75 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.637 -0.505 . . . . 0.0 109.637 178.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.5 t -98.68 103.02 14.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.032 -175.043 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.42 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 16.6 m-85 -106.95 127.23 53.25 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.868 178.194 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 23.0 p -140.58 133.08 28.57 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.57 -178.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.651 ' O ' ' HG3' ' A' ' 134' ' ' GLN . 22.3 t70 62.0 24.04 14.25 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 121.341 0.591 . . . . 0.0 110.481 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.29 -3.12 82.79 Favored Glycine 0 N--CA 1.448 -0.553 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.769 -177.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 7.9 mtpm? -113.82 150.04 34.1 Favored 'General case' 0 C--N 1.329 -0.32 0 O-C-N 122.323 -0.516 . . . . 0.0 111.714 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.42 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 58.2 tp -85.78 130.05 34.66 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.637 -0.71 . . . . 0.0 109.844 178.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 16.9 mmm180 -99.02 -29.4 12.92 Favored 'General case' 0 C--N 1.323 -0.574 0 C-N-CA 120.837 -0.345 . . . . 0.0 110.28 176.251 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 156.9 -159.22 29.44 Favored Glycine 0 N--CA 1.449 -0.493 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.984 178.655 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -107.68 171.13 7.56 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 110.217 -0.29 . . . . 0.0 110.217 179.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.416 HD22 ' HA ' ' A' ' 107' ' ' LEU . 0.8 OUTLIER -111.77 117.24 32.29 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 -179.072 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.8 m -134.72 150.48 50.59 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.776 177.656 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -128.38 131.38 6.91 Favored Glycine 0 N--CA 1.447 -0.597 0 C-N-CA 120.411 -0.9 . . . . 0.0 112.516 -177.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.465 ' N ' HD12 ' A' ' 110' ' ' ILE . 4.0 mp -78.41 -47.81 23.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-O 121.337 0.589 . . . . 0.0 109.792 178.095 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.553 ' HB2' ' HG3' ' A' ' 115' ' ' GLU . 38.4 m80 -133.86 157.59 77.44 Favored Pre-proline 0 C--N 1.323 -0.564 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.162 177.168 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 32.1 Cg_exo -60.06 97.03 0.11 Allowed 'Trans proline' 0 C--O 1.233 0.265 0 C-N-CA 122.573 2.182 . . . . 0.0 111.746 176.775 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.406 ' HA ' ' HB2' ' A' ' 116' ' ' LEU . 0.1 OUTLIER 60.52 -167.6 0.18 Allowed 'General case' 0 C--O 1.234 0.258 0 CA-C-N 115.306 -0.861 . . . . 0.0 111.328 -177.131 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 68.66 -56.87 0.51 Allowed 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 123.468 0.707 . . . . 0.0 110.943 -174.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.553 ' HG3' ' HB2' ' A' ' 111' ' ' HIS . 3.0 mm-40 -72.49 -29.95 64.09 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-O 121.72 0.771 . . . . 0.0 109.406 177.34 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.711 ' O ' ' HG2' ' A' ' 120' ' ' MET . 4.3 mt -66.59 -37.43 84.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 114.6 -1.182 . . . . 0.0 112.411 -175.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 96.5 mt -49.82 -50.46 45.1 Favored 'General case' 0 C--N 1.329 -0.288 0 N-CA-C 112.521 0.563 . . . . 0.0 112.521 -168.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.7 m -85.34 -40.07 16.93 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.884 0.373 . . . . 0.0 111.166 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.401 ' O ' HG13 ' A' ' 123' ' ' ILE . 0.5 OUTLIER -64.47 -50.56 67.0 Favored 'General case' 0 CA--C 1.531 0.247 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.519 -171.782 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.711 ' HG2' ' O ' ' A' ' 116' ' ' LEU . 27.3 ptt? -73.05 -30.32 63.63 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.941 0.4 . . . . 0.0 110.622 -175.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.2 ttt180 -74.12 -36.77 64.23 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.29 -175.289 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.1 t -63.86 -30.76 71.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.831 179.188 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 119' ' ' LEU . 68.3 mt -60.93 -41.47 89.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.215 0 CA-C-O 121.046 0.451 . . . . 0.0 110.965 -179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 28.1 m -104.32 11.5 8.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.014 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 37.8 t70 -75.45 -31.17 60.22 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.363 0.601 . . . . 0.0 110.22 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 11.0 p -119.05 89.95 40.27 Favored Pre-proline 0 C--N 1.322 -0.612 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.056 175.074 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 8.0 Cg_exo -73.85 -12.21 23.99 Favored 'Trans proline' 0 C--O 1.234 0.295 0 C-N-CA 122.83 2.353 . . . . 0.0 112.54 -178.422 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -90.39 160.46 16.06 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.451 0.643 . . . . 0.0 111.546 -177.495 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . 0.504 ' O ' ' HB3' ' A' ' 130' ' ' GLN . . . -159.53 84.26 0.76 Allowed 'General case' 0 C--N 1.32 -0.684 0 N-CA-C 107.885 -1.154 . . . . 0.0 107.885 175.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . 0.504 ' HB3' ' O ' ' A' ' 129' ' ' ALA . 48.0 tp60 72.24 121.09 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.248 0 O-C-N 124.291 0.994 . . . . 0.0 109.667 -165.735 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -60.97 136.6 58.13 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.796 -179.301 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 8.6 m 63.22 58.99 1.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.519 0.676 . . . . 0.0 110.142 -176.025 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 12.8 p -111.43 -28.07 2.67 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-N 115.681 -0.69 . . . . 0.0 110.279 179.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.651 ' HG3' ' O ' ' A' ' 100' ' ' ASP . 0.6 OUTLIER -98.89 114.72 27.46 Favored 'General case' 0 N--CA 1.448 -0.553 0 CA-C-O 121.273 0.559 . . . . 0.0 110.44 -179.134 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 94.1 mt -139.78 165.64 26.74 Favored 'General case' 0 C--N 1.316 -0.877 0 CA-C-N 115.111 -0.95 . . . . 0.0 108.611 174.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -77.55 42.12 0.35 Allowed 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 121.08 0.466 . . . . 0.0 110.365 176.582 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 43.2 m170 69.38 -74.02 0.08 Allowed 'General case' 0 N--CA 1.462 0.129 0 CA-C-N 115.262 -0.881 . . . . 0.0 109.813 -173.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 -152.4 155.19 37.08 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 173.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 71.7 t60 -120.27 79.03 1.41 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.219 0.533 . . . . 0.0 110.546 -174.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -98.76 69.85 1.85 Allowed 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 176.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -174.87 138.46 0.47 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.433 -0.803 . . . . 0.0 109.221 -176.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 30.1 p-80 . . . . . 0 C--O 1.247 0.941 0 CA-C-O 118.188 -0.91 . . . . 0.0 110.092 179.071 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.3 ttt . . . . . 0 N--CA 1.481 1.102 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 62.99 15.9 8.79 Favored 'General case' 0 N--CA 1.467 0.402 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 169.051 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 26.4 p-10 -83.25 -13.6 54.94 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.151 0.501 . . . . 0.0 110.283 179.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -135.88 116.02 13.39 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.536 178.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 41.0 m -120.29 127.01 26.54 Favored Pre-proline 0 C--N 1.319 -0.741 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.221 177.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -61.19 107.15 0.44 Allowed 'Trans proline' 0 C--N 1.343 0.269 0 C-N-CA 122.747 2.298 . . . . 0.0 111.623 176.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 70.9 t80 -106.71 118.69 37.34 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.784 -176.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.6 m -147.66 173.82 12.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.694 -0.685 . . . . 0.0 109.282 174.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.88 -29.25 70.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.797 0.332 . . . . 0.0 111.208 -177.093 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.4 mp -68.19 -30.53 69.65 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.564 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 55.7 t-105 -85.72 -50.52 7.11 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.61 176.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.0 tt0 -51.56 -35.0 39.27 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.516 -0.765 . . . . 0.0 112.584 -178.243 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.656 ' HG3' HD22 ' A' ' 14' ' ' LEU . 20.0 ptt180 -59.7 -30.61 68.91 Favored 'General case' 0 CA--C 1.533 0.291 0 N-CA-C 111.709 0.262 . . . . 0.0 111.709 -177.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.656 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.0 mm? -72.41 -40.2 67.36 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 121.227 0.536 . . . . 0.0 110.052 178.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 60.0 mt -66.67 -32.82 74.38 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.72 -0.673 . . . . 0.0 109.746 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.6 m -67.23 -25.77 66.26 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.294 -0.866 . . . . 0.0 110.643 178.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 15.7 ttt180 -77.88 0.48 23.9 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 121.297 0.57 . . . . 0.0 110.442 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 90.92 31.83 9.6 Favored Glycine 0 N--CA 1.449 -0.444 0 C-N-CA 120.97 -0.634 . . . . 0.0 112.632 176.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 41.1 m0 -104.22 134.85 46.76 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 110.386 -0.227 . . . . 0.0 110.386 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -90.0 130.81 41.12 Favored Pre-proline 0 C--N 1.326 -0.427 0 CA-C-N 116.323 -0.399 . . . . 0.0 111.222 -179.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.44 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 75.1 Cg_endo -81.27 113.85 2.72 Favored 'Trans proline' 0 N--CA 1.46 -0.48 0 C-N-CA 122.375 2.05 . . . . 0.0 111.323 172.626 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.9 m -102.53 154.57 5.22 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-O 121.147 0.498 . . . . 0.0 111.636 -176.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.441 ' HB2' ' HB ' ' A' ' 26' ' ' THR . 44.8 mt-10 -104.09 174.11 6.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.459 179.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -71.85 -36.32 70.12 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.34 177.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.2 p -101.91 12.74 36.46 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.238 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.441 ' HB ' ' HB2' ' A' ' 23' ' ' GLU . 12.8 m -129.14 -17.83 3.79 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.842 0.354 . . . . 0.0 111.315 -178.572 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.433 ' O ' HG13 ' A' ' 31' ' ' ILE . 14.0 p -64.17 -32.31 56.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.219 0 CA-C-O 120.648 0.261 . . . . 0.0 110.981 -178.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -62.11 -47.09 86.15 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.464 -0.335 . . . . 0.0 111.545 -177.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -61.76 -39.6 92.18 Favored 'General case' 0 CA--C 1.518 -0.272 0 CA-C-O 121.056 0.455 . . . . 0.0 110.424 179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 53.3 t90 -64.05 -50.94 66.45 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.558 -0.746 . . . . 0.0 110.059 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.433 HG13 ' O ' ' A' ' 27' ' ' VAL . 91.9 mt -57.98 -47.33 86.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.557 -177.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.78 -25.3 63.74 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.517 -176.179 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 33' ' ' ARG . 21.3 ttt180 -81.63 -46.59 14.16 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 120.994 0.426 . . . . 0.0 111.218 179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 25.2 m -74.55 -35.51 38.46 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 115.946 -0.57 . . . . 0.0 111.063 -177.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.9 -52.61 4.49 Favored Glycine 0 N--CA 1.449 -0.478 0 CA-C-N 116.255 -0.429 . . . . 0.0 112.175 178.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -125.48 136.33 53.25 Favored 'General case' 0 C--N 1.317 -0.805 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -175.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.22 -177.54 40.58 Favored Glycine 0 N--CA 1.447 -0.571 0 C-N-CA 120.55 -0.833 . . . . 0.0 112.293 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.411 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 23.2 m -135.39 138.54 48.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 121.024 0.44 . . . . 0.0 111.019 -178.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.537 HG13 ' HB3' ' A' ' 73' ' ' ALA . 2.4 mp -108.86 126.83 65.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.862 -0.608 . . . . 0.0 109.448 176.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.491 ' HB2' HG12 ' A' ' 74' ' ' VAL . 87.1 mt -96.15 125.65 40.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.043 177.139 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 76.9 mt -81.39 156.11 25.58 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 110.131 -0.322 . . . . 0.0 110.131 177.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.9 t -54.54 119.35 5.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.37 -0.604 . . . . 0.0 109.37 175.485 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 16.2 m -82.69 82.57 7.99 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.987 -171.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -123.1 88.46 51.03 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 109.186 -0.672 . . . . 0.0 109.186 172.617 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 4.4 Cg_endo -85.68 -70.37 0.01 OUTLIER 'Trans proline' 0 N--CA 1.452 -0.922 0 C-N-CA 122.678 2.252 . . . . 0.0 112.034 -178.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 ptp180 177.98 -32.3 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.256 0 N-CA-C 108.35 -0.981 . . . . 0.0 108.35 -178.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -174.57 144.0 0.84 Allowed 'General case' 0 N--CA 1.451 -0.399 0 N-CA-C 107.541 -1.281 . . . . 0.0 107.541 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.476 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 8.8 p -64.32 113.38 10.25 Favored Pre-proline 0 C--N 1.325 -0.481 0 CA-C-O 120.65 0.262 . . . . 0.0 110.338 175.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.476 ' HD3' ' HA ' ' A' ' 48' ' ' THR . 57.9 Cg_endo -92.67 113.83 0.29 Allowed 'Trans proline' 0 N--CA 1.455 -0.785 0 C-N-CA 123.256 2.638 . . . . 0.0 113.861 -172.291 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 42.6 tt0 59.72 -96.38 0.06 Allowed 'General case' 0 CA--C 1.531 0.232 0 CA-C-N 115.651 -0.704 . . . . 0.0 111.496 173.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 31.2 m -133.99 2.73 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-O 121.019 0.438 . . . . 0.0 110.521 179.13 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 49.2 m -88.21 72.54 9.06 Favored 'General case' 0 N--CA 1.449 -0.495 0 CA-C-O 121.512 0.672 . . . . 0.0 110.843 -175.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 7.2 p-10 -158.43 -177.04 6.25 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.018 -0.992 . . . . 0.0 108.994 177.128 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.48 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 61.9 m-80 75.34 143.85 0.1 Allowed Pre-proline 0 N--CA 1.472 0.642 0 O-C-N 123.919 0.762 . . . . 0.0 111.155 -173.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.423 ' HG3' HD11 ' A' ' 14' ' ' LEU . 92.3 Cg_endo -78.78 17.99 1.06 Allowed 'Trans proline' 0 CA--C 1.529 0.26 0 C-N-CA 123.547 2.831 . . . . 0.0 112.956 179.526 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 35.8 m -87.22 171.19 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.547 -177.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.443 ' HB3' ' HZ3' ' A' ' 113' ' ' TRP . 65.6 mtm 73.48 -33.7 0.27 Allowed 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 123.543 0.737 . . . . 0.0 112.339 177.035 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.408 ' O ' ' HG ' ' A' ' 62' ' ' LEU . 11.3 tp -59.14 -32.53 48.21 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.732 -176.391 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -77.81 -45.54 24.15 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.911 0.386 . . . . 0.0 111.625 -176.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.37 -30.3 67.18 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.407 -177.104 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.51 ' O ' ' HG2' ' A' ' 64' ' ' GLU . 2.1 tm? -57.99 -51.72 68.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 121.312 0.577 . . . . 0.0 109.853 177.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 85.0 mt -57.08 -31.63 65.43 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-N 114.999 -1.001 . . . . 0.0 112.023 -178.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 65.0 mtp85 -75.46 2.35 11.75 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 113.154 0.798 . . . . 0.0 113.154 -172.635 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 61' ' ' LEU . 5.1 pt-20 -88.67 -4.26 58.59 Favored 'General case' 0 N--CA 1.444 -0.765 0 C-N-CA 120.019 -0.672 . . . . 0.0 109.787 174.103 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 -110.42 82.52 2.79 Favored Pre-proline 0 C--N 1.326 -0.417 0 N-CA-C 108.908 -0.775 . . . . 0.0 108.908 175.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.468 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 97.1 Cg_endo -86.39 11.37 3.32 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 122.851 2.367 . . . . 0.0 113.414 -170.024 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 5.5 mm100 -70.49 -47.18 61.79 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.901 0.381 . . . . 0.0 111.795 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -135.59 163.65 29.62 Favored 'General case' 0 C--N 1.318 -0.784 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.535 -176.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -83.28 113.07 20.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.612 -173.054 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 51.6 m95 -86.97 141.56 28.6 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.053 -0.522 . . . . 0.0 110.39 176.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.8 mt-30 -129.42 142.87 50.69 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.139 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 22.8 t -108.42 132.37 56.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-O 121.011 0.434 . . . . 0.0 110.596 -176.845 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.537 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -125.58 148.44 48.93 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.42 177.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.491 HG12 ' HB2' ' A' ' 40' ' ' LEU . 18.2 m -127.56 166.84 23.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.085 179.06 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -142.51 153.93 44.05 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.003 0.43 . . . . 0.0 111.376 -178.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -67.72 170.24 8.22 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.093 175.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.409 ' H ' HD12 ' A' ' 77' ' ' LEU . 7.5 mp -52.87 -53.06 54.4 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 122.375 0.27 . . . . 0.0 111.253 179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.481 ' HG3' ' N ' ' A' ' 79' ' ' GLN . 6.3 pt-20 -69.94 -36.21 75.13 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-O 121.043 0.449 . . . . 0.0 110.762 -177.421 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.481 ' N ' ' HG3' ' A' ' 78' ' ' GLU . 97.6 mt-30 -63.94 -43.83 94.65 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.11 179.158 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 41.4 m -65.42 -33.24 75.49 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.639 177.434 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -65.43 -51.84 57.44 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.453 -0.339 . . . . 0.0 110.342 177.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -63.86 -47.22 81.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.473 -179.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 87.4 mt -66.08 -49.56 75.55 Favored 'Isoleucine or valine' 0 C--O 1.236 0.394 0 CA-C-O 121.141 0.496 . . . . 0.0 110.59 179.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -58.85 -41.06 95.92 Favored Glycine 0 N--CA 1.446 -0.647 0 CA-C-N 115.423 -0.808 . . . . 0.0 112.454 -178.743 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -62.54 -37.78 87.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 0.0 111.08 -179.775 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 66.2 ttt180 -62.57 -35.45 79.53 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.581 178.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 58.2 m-85 -95.97 2.89 53.78 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.729 178.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 41.3 m-80 66.23 19.93 11.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 115.404 -0.816 . . . . 0.0 111.923 177.623 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 39.6 t -123.56 78.85 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.319 -0.726 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.244 179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -136.81 11.69 3.14 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.662 171.091 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 45.9 ttp180 -87.38 -20.82 26.17 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.342 177.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 34.9 p90 -151.21 142.52 15.4 Favored Pre-proline 0 C--N 1.326 -0.43 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.546 179.328 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 23.4 Cg_exo -64.4 134.08 40.2 Favored 'Trans proline' 0 C--O 1.233 0.26 0 C-N-CA 122.693 2.262 . . . . 0.0 111.76 178.298 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -158.84 145.92 17.42 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.456 -178.148 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.452 ' HB ' ' HB3' ' A' ' 107' ' ' LEU . 15.2 m -79.71 131.2 35.88 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 174.414 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.411 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.3 mm? -91.34 124.1 35.28 Favored 'General case' 0 C--N 1.321 -0.645 0 N-CA-C 109.497 -0.557 . . . . 0.0 109.497 177.717 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 41.3 t -95.97 106.79 18.78 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.447 -176.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 36.5 m-85 -108.15 134.15 51.41 Favored 'General case' 0 C--N 1.32 -0.674 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.009 179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -154.94 138.8 16.26 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 114.953 -1.021 . . . . 0.0 109.355 178.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.9 t70 65.82 14.84 9.78 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-O 121.566 0.698 . . . . 0.0 110.24 -178.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 82.75 2.36 90.64 Favored Glycine 0 N--CA 1.448 -0.539 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.389 -176.163 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 97.4 mttt -111.17 157.73 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.916 0.389 . . . . 0.0 111.28 -178.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 60.9 tp -89.51 124.9 34.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.901 -0.59 . . . . 0.0 109.778 175.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 30.9 mmm180 -93.05 -25.13 18.07 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-O 120.989 0.424 . . . . 0.0 110.715 178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 152.7 -166.86 31.44 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.194 178.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -113.58 145.36 41.37 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 110.155 -0.313 . . . . 0.0 110.155 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.452 ' HB3' ' HB ' ' A' ' 95' ' ' THR . 1.1 tm? -99.89 96.04 7.3 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 -176.432 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.2 t -117.74 122.16 42.74 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 108.531 -0.915 . . . . 0.0 108.531 174.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -97.12 131.03 10.45 Favored Glycine 0 N--CA 1.446 -0.644 0 C-N-CA 120.545 -0.836 . . . . 0.0 113.721 -171.213 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.402 ' H ' HG12 ' A' ' 110' ' ' ILE . 12.6 pt -78.41 -15.85 13.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 121.482 0.658 . . . . 0.0 109.704 171.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 13.1 m80 -150.68 151.21 30.07 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 114.94 -1.027 . . . . 0.0 108.505 172.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_exo -61.57 -30.38 85.92 Favored 'Trans proline' 0 C--O 1.233 0.235 0 C-N-CA 122.741 2.294 . . . . 0.0 113.033 -176.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.443 ' HZ3' ' HB3' ' A' ' 57' ' ' MET . 6.1 t-105 -149.47 -167.26 2.78 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 110.082 -0.34 . . . . 0.0 110.082 -179.253 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 70.85 -74.92 0.08 Allowed 'General case' 0 N--CA 1.469 0.483 0 C-N-CA 123.712 0.805 . . . . 0.0 112.192 177.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -73.78 -22.5 59.81 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 121.143 0.497 . . . . 0.0 110.772 -175.567 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 9.8 tt -59.46 -41.27 89.32 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.61 -0.723 . . . . 0.0 110.78 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.451 HD22 ' H ' ' A' ' 117' ' ' LEU . 3.1 mm? -55.83 -47.88 76.45 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.385 -175.6 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.9 m -62.56 -46.76 86.88 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.935 0.398 . . . . 0.0 111.315 -178.647 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.561 ' O ' HG13 ' A' ' 123' ' ' ILE . 4.3 mm? -71.4 -49.82 38.17 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.472 -176.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.456 ' HA ' HD12 ' A' ' 123' ' ' ILE . 17.0 tpt -58.89 -41.01 86.15 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-O 120.904 0.383 . . . . 0.0 111.158 -178.145 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.427 HH11 ' HD2' ' A' ' 121' ' ' ARG . 17.5 ttt85 -67.38 -30.53 70.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.335 0.588 . . . . 0.0 110.521 -178.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 13.0 t -75.27 -29.68 60.22 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.66 177.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.561 HG13 ' O ' ' A' ' 119' ' ' LEU . 78.3 mt -61.78 -38.18 79.87 Favored 'Isoleucine or valine' 0 C--O 1.235 0.322 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.255 -179.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.3 m -81.9 35.99 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.373 0 CA-C-O 121.243 0.544 . . . . 0.0 111.267 -179.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -64.66 -8.81 15.9 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 115.382 -0.827 . . . . 0.0 111.485 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.47 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 17.8 m -62.06 130.72 92.99 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.678 176.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.47 ' HD3' ' HA ' ' A' ' 126' ' ' THR . 17.1 Cg_exo -68.48 62.2 1.15 Allowed 'Trans proline' 0 C--N 1.346 0.443 0 C-N-CA 123.061 2.507 . . . . 0.0 112.523 178.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -112.75 -9.12 13.72 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.088 177.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -112.69 138.68 49.13 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.431 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -73.96 93.57 2.23 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-O 121.18 0.514 . . . . 0.0 111.433 179.84 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.435 ' HG2' ' H ' ' A' ' 132' ' ' THR . 36.4 tt0 -167.97 173.55 8.05 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 175.029 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . 0.435 ' H ' ' HG2' ' A' ' 131' ' ' GLU . 10.1 t -74.85 74.76 2.13 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-O 122.361 1.077 . . . . 0.0 111.053 -178.416 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.448 HG21 ' HA ' ' A' ' 127' ' ' PRO . 19.1 m -86.35 136.59 22.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.696 174.665 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -73.5 138.65 45.2 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.251 0.548 . . . . 0.0 110.831 -177.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 49.4 tp -79.03 -6.21 55.82 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.43 -174.085 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -74.38 102.27 4.36 Favored 'General case' 0 N--CA 1.45 -0.449 0 CA-C-O 121.849 0.833 . . . . 0.0 111.305 -178.389 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 43.2 m-70 -128.08 100.53 5.91 Favored 'General case' 0 C--N 1.318 -0.782 0 N-CA-C 108.148 -1.056 . . . . 0.0 108.148 173.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -66.07 105.46 1.36 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.345 0.593 . . . . 0.0 111.375 -170.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 55.5 m80 -98.19 127.39 44.11 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 115.471 -0.786 . . . . 0.0 110.265 178.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 45.4 t-80 -139.78 115.92 10.43 Favored 'General case' 0 C--N 1.319 -0.746 0 N-CA-C 108.869 -0.789 . . . . 0.0 108.869 174.474 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.423 ' O ' ' HB2' ' A' ' 142' ' ' HIS . 56.5 t-80 -70.24 86.0 0.57 Allowed 'General case' 0 C--N 1.328 -0.357 0 O-C-N 123.342 0.401 . . . . 0.0 111.473 -174.691 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . 0.423 ' HB2' ' O ' ' A' ' 141' ' ' HIS . 12.5 t60 . . . . . 0 C--O 1.248 1.02 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.177 174.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 91' ' ' ARG . 45.7 mtt . . . . . 0 N--CA 1.477 0.875 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.0 -173.37 0.18 Allowed 'General case' 0 N--CA 1.464 0.245 0 N-CA-C 108.739 -0.837 . . . . 0.0 108.739 -164.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 5.0 p-10 -163.55 116.92 1.53 Allowed 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.559 0.695 . . . . 0.0 111.746 179.433 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -76.48 -44.19 36.51 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.484 -0.78 . . . . 0.0 109.367 169.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 19.8 m 62.94 84.72 0.18 Allowed Pre-proline 0 C--N 1.329 -0.323 0 CA-C-N 114.902 -1.045 . . . . 0.0 111.291 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 38.9 Cg_endo -70.33 -42.37 2.86 Favored 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.325 2.017 . . . . 0.0 111.822 177.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 4.8 t80 61.34 -159.95 0.31 Allowed 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 115.482 -0.781 . . . . 0.0 110.295 178.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 18.4 m 60.98 -157.71 0.34 Allowed 'General case' 0 C--O 1.237 0.429 0 CA-C-O 120.906 0.384 . . . . 0.0 111.691 176.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.602 ' HA ' ' HB3' ' A' ' 12' ' ' GLN . . . -58.48 -26.72 63.72 Favored 'General case' 0 C--O 1.226 -0.184 0 CA-C-N 115.724 -0.671 . . . . 0.0 111.595 179.081 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.529 ' H ' HD12 ' A' ' 10' ' ' LEU . 6.3 mp -57.72 -38.54 75.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.781 0.324 . . . . 0.0 110.504 178.424 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 46.4 t-105 -83.33 -47.08 11.86 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 121.019 0.437 . . . . 0.0 110.165 175.683 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.602 ' HB3' ' HA ' ' A' ' 9' ' ' ALA . 30.2 tt0 -48.94 -34.36 12.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.335 -0.848 . . . . 0.0 111.827 177.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -53.0 -38.8 62.59 Favored 'General case' 0 C--O 1.234 0.26 0 C-N-CA 122.671 0.388 . . . . 0.0 111.627 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.624 HD23 HG11 ' A' ' 74' ' ' VAL . 7.7 mp -66.35 -36.16 82.18 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.99 0.424 . . . . 0.0 110.156 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 79.2 mt -75.45 -30.26 59.91 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.593 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 62.6 m -67.13 -33.88 76.39 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.011 178.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 36.3 ttm180 -81.46 172.39 13.57 Favored 'General case' 0 C--N 1.327 -0.375 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 178.246 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.3 45.01 2.51 Favored Glycine 0 CA--C 1.52 0.367 0 C-N-CA 120.953 -0.642 . . . . 0.0 113.434 -175.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.497 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 51.7 m0 -105.51 138.35 41.85 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.964 0.412 . . . . 0.0 111.254 178.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.438 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 2.3 mp0 -97.72 135.44 21.59 Favored Pre-proline 0 N--CA 1.449 -0.518 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.256 177.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.438 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 1.7 Cg_endo -81.45 118.22 3.19 Favored 'Trans proline' 0 N--CA 1.456 -0.686 0 C-N-CA 122.61 2.206 . . . . 0.0 111.098 175.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.4 m -108.95 155.64 9.89 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.564 0 CA-C-O 121.271 0.558 . . . . 0.0 111.88 -176.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.473 ' HB2' HG22 ' A' ' 26' ' ' THR . 43.8 mt-10 -117.96 168.35 10.59 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.28 -0.873 . . . . 0.0 109.567 177.199 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -65.16 -24.76 67.48 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 120.954 0.406 . . . . 0.0 111.301 -179.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 2.4 p -91.11 -13.02 33.84 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 112.554 0.575 . . . . 0.0 112.554 -176.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.473 HG22 ' HB2' ' A' ' 23' ' ' GLU . 14.2 t -126.06 -6.73 6.62 Favored 'General case' 0 C--N 1.329 -0.321 0 C-N-CA 120.565 -0.454 . . . . 0.0 112.124 -177.553 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.0 p -61.91 -39.2 82.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.601 0.239 . . . . 0.0 111.211 -176.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -68.61 -28.7 67.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.846 -177.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -76.93 -43.06 36.9 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.563 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.444 ' O ' HG22 ' A' ' 34' ' ' VAL . 92.2 t90 -56.67 -46.83 80.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.089 178.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.463 HD13 ' CE1' ' A' ' 98' ' ' PHE . 63.8 mt -61.47 -41.51 90.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.716 178.643 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -57.72 -39.95 78.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.501 0.667 . . . . 0.0 111.039 175.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 3.0 mtt180 -78.98 -35.87 42.32 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.356 -171.251 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.562 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 26.8 m -86.41 -45.48 16.7 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.525 178.745 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 100.99 -61.82 0.59 Allowed Glycine 0 N--CA 1.444 -0.82 0 C-N-CA 121.158 -0.544 . . . . 0.0 112.006 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -127.52 137.01 52.52 Favored 'General case' 0 C--N 1.315 -0.898 0 N-CA-C 110.309 -0.256 . . . . 0.0 110.309 -175.202 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 168.84 -171.59 42.91 Favored Glycine 0 N--CA 1.448 -0.535 0 C-N-CA 120.054 -1.07 . . . . 0.0 112.893 -179.049 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.491 HG23 HG13 ' A' ' 72' ' ' VAL . 15.3 m -136.55 138.68 46.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 CA-C-O 120.979 0.418 . . . . 0.0 111.005 -178.314 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.52 HG13 ' HB3' ' A' ' 73' ' ' ALA . 2.0 mp -109.92 128.2 66.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.88 178.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.485 ' HB2' HG12 ' A' ' 74' ' ' VAL . 97.6 mt -96.93 132.89 42.26 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.249 178.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 94.0 mt -94.72 156.73 16.27 Favored 'General case' 0 C--N 1.325 -0.5 0 N-CA-C 109.927 -0.397 . . . . 0.0 109.927 177.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.1 t -72.94 -55.64 6.3 Favored 'General case' 0 C--N 1.32 -0.685 0 N-CA-C 108.614 -0.884 . . . . 0.0 108.614 175.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.478 ' O ' ' HB3' ' A' ' 44' ' ' ASP . 22.7 t 70.58 -50.03 0.66 Allowed 'General case' 0 N--CA 1.467 0.382 0 CA-C-N 115.355 -0.838 . . . . 0.0 112.533 173.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.562 ' OD2' ' HB2' ' A' ' 46' ' ' ARG . 31.6 t70 82.88 123.4 0.03 OUTLIER Pre-proline 0 N--CA 1.468 0.473 0 C-N-CA 124.571 1.148 . . . . 0.0 110.613 -174.268 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.528 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 5.3 Cg_exo -79.95 46.02 2.12 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 123.597 2.864 . . . . 0.0 112.275 -178.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.562 ' HB2' ' OD2' ' A' ' 44' ' ' ASP . 79.2 ttt180 -62.13 -60.85 3.0 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.089 177.619 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' A' ' 47' ' ' ARG . 21.6 ttt85 -110.53 141.2 44.01 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 108.285 -1.006 . . . . 0.0 108.285 173.833 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 63.5 m 65.13 78.88 0.25 Allowed Pre-proline 0 C--N 1.328 -0.354 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 -167.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 69.1 Cg_endo -89.76 -177.33 1.39 Allowed 'Trans proline' 0 N--CA 1.452 -0.926 0 C-N-CA 123.226 2.617 . . . . 0.0 113.307 -172.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 71.41 -84.85 0.03 OUTLIER 'General case' 0 C--O 1.227 -0.126 0 CA-C-N 114.998 -1.001 . . . . 0.0 111.521 177.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.404 ' O ' ' HB3' ' A' ' 52' ' ' SER . 8.3 p 41.34 47.84 0.34 Allowed 'Isoleucine or valine' 0 CA--C 1.545 0.766 0 CA-C-O 121.847 0.832 . . . . 0.0 111.403 -175.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.404 ' HB3' ' O ' ' A' ' 51' ' ' VAL . 33.7 t 77.4 -31.12 0.17 Allowed 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 114.724 -1.125 . . . . 0.0 111.751 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.481 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 30.4 t70 66.19 120.52 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 C-N-CA 123.257 0.623 . . . . 0.0 110.55 -176.156 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.481 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 0.9 OUTLIER 71.71 114.53 0.03 OUTLIER Pre-proline 0 N--CA 1.467 0.378 0 CA-C-N 115.498 -0.774 . . . . 0.0 109.894 -171.549 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.435 ' HD2' ' HA ' ' A' ' 54' ' ' ASN . 11.7 Cg_endo -54.84 98.8 0.06 OUTLIER 'Trans proline' 0 C--O 1.237 0.459 0 C-N-CA 123.312 2.675 . . . . 0.0 113.306 -177.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.474 ' C ' ' H ' ' A' ' 58' ' ' ILE . 29.2 m -127.78 169.21 19.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.089 -0.959 . . . . 0.0 109.208 174.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 67.7 mtm 71.57 -21.84 0.21 Allowed 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 123.052 0.541 . . . . 0.0 111.615 179.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.474 ' H ' ' C ' ' A' ' 56' ' ' VAL . 9.7 tp -62.35 -24.41 34.92 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 CA-C-O 121.192 0.52 . . . . 0.0 110.534 177.326 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -76.73 -26.21 54.37 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.763 178.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -67.72 -29.07 68.23 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.818 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.446 HD22 ' HA ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -52.4 -43.12 64.59 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.767 179.751 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.7 -17.24 13.97 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.332 -0.849 . . . . 0.0 112.415 -178.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.445 ' HD3' HH11 ' A' ' 63' ' ' ARG . 30.9 mmt180 -77.68 -21.29 52.3 Favored 'General case' 0 C--N 1.328 -0.343 0 O-C-N 122.29 -0.256 . . . . 0.0 110.879 178.72 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.791 ' HB3' HD11 ' A' ' 117' ' ' LEU . 8.7 mm-40 -86.96 -29.23 22.19 Favored 'General case' 0 N--CA 1.446 -0.64 0 CA-C-O 120.935 0.398 . . . . 0.0 110.798 -172.726 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -121.27 77.66 34.15 Favored Pre-proline 0 C--N 1.325 -0.491 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.643 179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 3.1 Cg_exo -81.82 9.63 3.85 Favored 'Trans proline' 0 C--N 1.345 0.373 0 C-N-CA 123.345 2.697 . . . . 0.0 112.201 -177.847 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -65.23 -44.79 87.11 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.217 176.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.449 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 4.5 m-85 -108.02 156.52 19.16 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.116 177.834 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -97.64 93.53 6.46 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 169.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.449 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 18.5 m95 -78.36 143.6 36.73 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.832 -170.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.562 ' OE1' ' HB ' ' A' ' 34' ' ' VAL . 28.0 mp0 -111.39 139.84 46.47 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 168.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.497 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 21.2 t -109.04 135.11 48.92 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.699 0 C-N-CA 120.966 -0.294 . . . . 0.0 110.47 -177.428 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.52 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -129.18 154.57 46.63 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.605 179.723 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.624 HG11 HD23 ' A' ' 14' ' ' LEU . 11.7 m -125.69 147.58 30.4 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.468 178.534 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -93.36 141.25 28.65 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.724 179.189 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.529 ' HB3' ' HB2' ' A' ' 79' ' ' GLN . 3.2 t70 -57.01 152.34 13.28 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.288 174.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 92.4 mt -51.68 -43.23 62.65 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.778 0.323 . . . . 0.0 111.522 -176.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 26.2 tp10 -78.72 -50.45 11.37 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 121.12 0.486 . . . . 0.0 110.443 178.848 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.529 ' HB2' ' HB3' ' A' ' 76' ' ' ASP . 19.2 mm-40 -62.89 -25.81 68.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 115.676 -0.693 . . . . 0.0 112.435 -175.651 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 35.2 t -59.04 -35.81 73.95 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.59 0.233 . . . . 0.0 111.406 -178.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -68.02 -43.11 79.54 Favored 'General case' 0 C--N 1.326 -0.438 0 N-CA-C 109.383 -0.599 . . . . 0.0 109.383 -179.557 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.33 -39.36 81.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.212 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 64.9 mt -66.39 -39.32 83.81 Favored 'Isoleucine or valine' 0 C--O 1.234 0.25 0 CA-C-O 120.757 0.313 . . . . 0.0 110.85 179.145 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -59.96 -43.59 97.99 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.686 -0.768 . . . . 0.0 111.564 176.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -65.13 -40.88 95.08 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.281 0.562 . . . . 0.0 110.75 175.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -55.54 -41.6 73.43 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 114.974 -1.012 . . . . 0.0 111.969 -176.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 31.4 m-85 -102.28 -1.38 31.23 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.125 -177.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 40.6 m-80 56.12 49.98 14.47 Favored 'General case' 0 N--CA 1.463 0.222 0 CA-C-O 121.27 0.557 . . . . 0.0 110.514 -177.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.9 p -69.99 150.56 10.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.59 -177.66 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 40.3 ttm180 -70.64 140.76 51.66 Favored 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.465 ' HA ' ' CE ' ' A' ' 1' ' ' MET . 56.6 mtt180 -58.54 164.98 2.35 Favored 'General case' 0 C--O 1.237 0.411 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -176.239 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.462 ' HB2' ' O ' ' A' ' 91' ' ' ARG . 88.9 m-85 77.96 151.91 0.13 Allowed Pre-proline 0 N--CA 1.47 0.546 0 CA-C-N 114.876 -1.056 . . . . 0.0 110.437 -174.487 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 2.5 Cg_endo -45.67 121.92 4.49 Favored 'Trans proline' 0 C--N 1.352 0.754 0 C-N-CA 123.582 2.854 . . . . 0.0 112.356 -177.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -140.68 143.98 35.39 Favored 'General case' 0 N--CA 1.449 -0.523 0 CA-C-O 121.427 0.632 . . . . 0.0 111.419 -171.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.3 m -101.08 131.3 47.06 Favored 'General case' 0 C--N 1.318 -0.802 0 CA-C-N 114.929 -1.032 . . . . 0.0 108.987 173.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.417 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.8 mm? -91.19 124.3 35.29 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 178.486 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.407 ' CG2' HD23 ' A' ' 107' ' ' LEU . 44.8 t -97.22 114.16 33.53 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.887 0 CA-C-N 115.897 -0.592 . . . . 0.0 109.852 -177.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.469 ' CD2' HD13 ' A' ' 39' ' ' ILE . 50.8 m-85 -112.05 140.8 46.43 Favored 'General case' 0 C--N 1.317 -0.821 0 CA-C-O 121.261 0.553 . . . . 0.0 110.846 -179.757 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.605 ' HB ' HH11 ' A' ' 104' ' ' ARG . 1.3 m -153.1 148.55 27.12 Favored 'General case' 0 C--N 1.317 -0.843 0 N-CA-C 108.394 -0.965 . . . . 0.0 108.394 -177.25 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER 58.41 16.02 3.86 Favored 'General case' 0 C--N 1.32 -0.681 0 C-N-CA 123.558 0.743 . . . . 0.0 112.337 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 90.86 -8.97 79.05 Favored Glycine 0 N--CA 1.446 -0.654 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.579 -175.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 57.5 mtpt -120.25 178.06 4.79 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 117.209 0.504 . . . . 0.0 111.675 -178.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.409 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 37.6 tp -83.41 129.09 34.97 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.985 0.422 . . . . 0.0 110.965 -176.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.605 HH11 ' HB ' ' A' ' 99' ' ' THR . 0.2 OUTLIER -91.76 -48.96 6.52 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.674 178.245 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 175.71 -164.03 34.04 Favored Glycine 0 N--CA 1.446 -0.67 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.812 -178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -131.67 147.68 52.53 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 120.733 0.301 . . . . 0.0 110.668 -178.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.424 HD21 ' HG3' ' A' ' 120' ' ' MET . 1.8 mm? -112.14 106.17 14.71 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.435 179.818 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 13.6 m -128.27 162.36 27.21 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.167 179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 95.27 147.48 22.7 Favored Glycine 0 N--CA 1.449 -0.447 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.681 176.357 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 67.3 mt -85.06 110.37 19.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-O 121.133 0.492 . . . . 0.0 110.402 179.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 1.3 p-80 -137.91 136.28 19.66 Favored Pre-proline 0 C--N 1.321 -0.656 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.05 -179.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 12.1 Cg_exo -70.69 175.78 8.39 Favored 'Trans proline' 0 C--O 1.238 0.493 0 C-N-CA 122.823 2.349 . . . . 0.0 112.425 -178.645 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 4.5 t-105 -72.75 174.34 7.79 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.221 -0.659 . . . . 0.0 109.221 176.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 71.67 -58.42 0.58 Allowed 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.101 0.561 . . . . 0.0 110.924 -175.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -64.81 -32.36 74.02 Favored 'General case' 0 CA--C 1.521 -0.162 0 CA-C-O 121.101 0.477 . . . . 0.0 110.143 176.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.1 tt -58.12 -40.82 82.2 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.697 177.057 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.791 HD11 ' HB3' ' A' ' 64' ' ' GLU . 4.6 mm? -62.1 -28.94 69.97 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.757 -0.656 . . . . 0.0 111.485 -179.826 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.0 m -82.73 -45.77 14.0 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 120.946 0.403 . . . . 0.0 110.54 179.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -70.21 -49.9 45.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.277 -174.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.424 ' HG3' HD21 ' A' ' 107' ' ' LEU . 28.1 ttt -72.52 -24.6 61.17 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.174 -173.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.512 ' HB2' ' O ' ' A' ' 117' ' ' LEU . 9.6 ttt180 -68.81 -28.02 66.38 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.549 -178.13 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 36.2 m -61.14 -29.85 70.02 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.132 176.127 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.44 HG22 ' CG ' ' A' ' 104' ' ' ARG . 47.4 mt -80.06 -49.28 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-O 121.24 0.543 . . . . 0.0 110.559 177.705 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.2 m -91.83 35.7 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.17 -177.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -73.6 -54.89 7.11 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.094 -178.699 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 35.0 p 48.95 83.96 0.21 Allowed Pre-proline 0 N--CA 1.468 0.448 0 CA-C-N 115.184 -0.916 . . . . 0.0 113.109 178.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 15.3 Cg_exo -69.3 -23.49 32.85 Favored 'Trans proline' 0 C--O 1.233 0.244 0 C-N-CA 122.7 2.267 . . . . 0.0 111.878 176.432 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -93.88 39.14 1.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.63 -0.713 . . . . 0.0 111.125 -178.414 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -122.63 151.19 41.71 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.106 178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -85.52 -38.64 18.32 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.68 -0.236 . . . . 0.0 110.988 -178.151 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 61.89 -139.72 0.47 Allowed 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 109.174 -0.676 . . . . 0.0 109.174 -179.681 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 4.5 m 65.48 43.51 3.38 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.681 0.753 . . . . 0.0 110.404 176.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 26.8 m -99.31 174.8 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.475 179.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.7 111.64 23.96 Favored 'General case' 0 C--N 1.32 -0.704 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 177.319 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 9.4 mp -67.29 114.77 6.28 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.567 -178.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.432 ' HA ' ' OE1' ' A' ' 136' ' ' GLU . 5.2 mm-40 -56.32 135.89 53.56 Favored 'General case' 0 C--O 1.234 0.283 0 CA-C-O 121.35 0.595 . . . . 0.0 111.413 -179.301 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 66.3 m80 -85.85 174.62 9.17 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.217 -0.902 . . . . 0.0 110.29 -176.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 52.6 m80 -80.1 137.54 36.77 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 178.713 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 34.2 m-70 -63.03 107.02 0.92 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.027 0.442 . . . . 0.0 111.011 -177.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -92.81 100.12 12.66 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.649 -0.705 . . . . 0.0 109.51 -179.397 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 64.3 t-80 -133.66 146.93 51.32 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.986 -0.552 . . . . 0.0 109.89 -173.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 22.6 p80 . . . . . 0 C--O 1.249 1.07 0 CA-C-O 117.422 -1.275 . . . . 0.0 109.403 173.069 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 81.0 mtp . . . . . 0 N--CA 1.476 0.847 0 CA-C-O 121.22 0.534 . . . . 0.0 110.031 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.88 120.45 39.34 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.163 -177.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 3.5 p30 -116.51 136.34 53.06 Favored 'General case' 0 C--N 1.32 -0.682 0 CA-C-N 116.014 -0.539 . . . . 0.0 111.246 -176.482 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -90.09 136.74 32.87 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 108.752 -0.833 . . . . 0.0 108.752 174.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 82.0 p 56.89 123.74 0.01 OUTLIER Pre-proline 0 N--CA 1.471 0.615 0 C-N-CA 124.251 1.021 . . . . 0.0 111.774 -170.268 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -47.18 -49.67 12.43 Favored 'Trans proline' 0 C--N 1.347 0.487 0 C-N-CA 122.738 2.292 . . . . 0.0 112.334 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.831 ' HB3' HD23 ' A' ' 10' ' ' LEU . 3.7 t80 66.66 121.49 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.282 0 O-C-N 123.97 0.794 . . . . 0.0 111.545 175.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.9 m -58.67 -30.21 67.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.888 -0.597 . . . . 0.0 111.824 -174.387 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -61.93 -30.23 70.76 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 -179.561 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.831 HD23 ' HB3' ' A' ' 7' ' ' PHE . 4.4 mm? -69.99 -27.18 64.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.997 0.427 . . . . 0.0 110.577 179.493 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 24.3 t-105 -85.57 -47.23 10.06 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.33 175.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 45.2 tt0 -47.23 -40.41 16.32 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.934 -1.03 . . . . 0.0 112.672 -179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.742 ' HG3' HD22 ' A' ' 14' ' ' LEU . 22.7 ptt180 -55.3 -31.11 61.38 Favored 'General case' 0 N--CA 1.467 0.378 0 N-CA-C 112.339 0.496 . . . . 0.0 112.339 -175.563 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.742 HD22 ' HG3' ' A' ' 13' ' ' ARG . 3.2 mm? -72.96 -41.76 64.07 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-O 121.179 0.514 . . . . 0.0 109.678 178.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.433 HD22 ' HG3' ' A' ' 21' ' ' PRO . 86.6 mt -67.75 -26.05 65.93 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.535 179.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 29.5 m -60.2 -38.4 83.17 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.868 177.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 54.9 ttt180 -75.52 -33.59 60.74 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 121.086 0.469 . . . . 0.0 109.973 177.647 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 141.59 -130.08 4.25 Favored Glycine 0 N--CA 1.446 -0.693 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.39 176.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.6 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 38.8 m0 67.28 154.56 0.1 Allowed 'General case' 0 C--O 1.232 0.17 0 CA-C-O 121.682 0.753 . . . . 0.0 112.1 -178.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.44 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 2.1 mp0 -90.59 120.89 68.85 Favored Pre-proline 0 N--CA 1.442 -0.859 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.385 -179.742 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.44 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 4.5 Cg_exo -78.56 105.77 2.02 Favored 'Trans proline' 0 N--CA 1.455 -0.786 0 C-N-CA 122.54 2.16 . . . . 0.0 111.012 175.251 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.5 m -101.73 -173.63 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.953 -177.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -132.35 179.92 5.83 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.081 -178.428 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . 0.522 ' HA ' HG12 ' A' ' 83' ' ' ILE . . . -63.5 -48.64 76.74 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.006 0.431 . . . . 0.0 111.389 -177.676 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.4 m -88.17 -32.05 18.82 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.819 179.386 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 23.7 m -70.09 -26.39 63.96 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.844 -176.139 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.457 ' O ' HG13 ' A' ' 31' ' ' ILE . 11.7 p -63.61 -34.0 65.04 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.224 0 C-N-CA 120.921 -0.312 . . . . 0.0 110.616 179.722 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -60.51 -42.29 96.11 Favored 'General case' 0 C--O 1.234 0.286 0 CA-C-O 121.316 0.579 . . . . 0.0 110.224 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.533 ' HA ' ' HE3' ' A' ' 32' ' ' LYS . 12.4 t70 -69.85 -40.48 75.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.292 -0.867 . . . . 0.0 110.401 178.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 77.0 t90 -60.81 -47.06 88.06 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.536 179.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 27' ' ' VAL . 95.8 mt -56.44 -50.63 71.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.428 0 CA-C-N 115.89 -0.596 . . . . 0.0 111.606 -179.122 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.533 ' HE3' ' HA ' ' A' ' 29' ' ' ASP . 0.1 OUTLIER -67.6 -20.17 65.33 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.946 -175.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 45.8 ttt85 -81.71 -48.25 11.9 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.513 -0.475 . . . . 0.0 111.554 176.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.6 m -76.29 -36.42 29.68 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 115.857 -0.611 . . . . 0.0 111.552 -174.611 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.18 -50.12 3.36 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 121.324 -0.465 . . . . 0.0 112.16 -179.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 17.5 m-20 -122.07 125.89 47.23 Favored 'General case' 0 C--N 1.319 -0.723 0 N-CA-C 109.653 -0.499 . . . . 0.0 109.653 -177.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.34 174.52 41.2 Favored Glycine 0 N--CA 1.446 -0.697 0 C-N-CA 120.164 -1.017 . . . . 0.0 112.885 -179.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.494 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 11.6 m -133.4 133.98 57.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.141 0.496 . . . . 0.0 110.782 -179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.438 ' HB ' ' HB2' ' A' ' 96' ' ' LEU . 3.8 mp -103.81 125.59 58.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.737 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.013 179.651 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.508 ' HB2' HG12 ' A' ' 74' ' ' VAL . 51.8 mt -99.47 114.42 27.36 Favored 'General case' 0 C--N 1.325 -0.48 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 175.189 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 75.1 mt -70.42 147.72 49.18 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.761 -0.459 . . . . 0.0 109.761 177.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.51 ' HB2' ' O ' ' A' ' 75' ' ' ALA . 33.4 t -69.58 -26.94 64.71 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.73 -177.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 22.7 t 61.87 -165.29 0.23 Allowed 'General case' 0 C--O 1.236 0.346 0 O-C-N 123.55 0.531 . . . . 0.0 110.08 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.429 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 5.4 p-10 -132.65 95.54 19.87 Favored Pre-proline 0 C--N 1.317 -0.816 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 172.74 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 7.8 Cg_exo -73.71 49.37 1.82 Allowed 'Trans proline' 0 C--O 1.234 0.294 0 C-N-CA 123.692 2.928 . . . . 0.0 113.895 -170.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.5 ptt180 -167.57 92.1 0.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.747 0.784 . . . . 0.0 111.488 172.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -128.48 -101.2 0.34 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.499 -0.773 . . . . 0.0 109.077 173.083 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.835 ' HB ' ' HD3' ' A' ' 49' ' ' PRO . 1.2 m -146.94 -56.64 0.02 OUTLIER Pre-proline 0 C--N 1.322 -0.591 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 171.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.835 ' HD3' ' HB ' ' A' ' 48' ' ' THR . 3.7 Cg_endo -86.95 123.96 2.09 Favored 'Trans proline' 0 C--N 1.356 0.973 0 C-N-CA 122.679 2.253 . . . . 0.0 110.674 169.715 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -91.5 97.49 11.09 Favored 'General case' 0 C--N 1.319 -0.761 0 CA-C-O 121.023 0.44 . . . . 0.0 110.367 -176.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 29.2 m -112.35 144.33 20.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.282 -176.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 48.7 m 62.07 12.08 4.74 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.403 -0.817 . . . . 0.0 112.122 178.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.48 ' C ' ' HD3' ' A' ' 55' ' ' PRO . 6.3 t70 -86.46 53.37 2.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 121.371 0.605 . . . . 0.0 109.859 -178.386 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.516 ' N ' ' HD3' ' A' ' 55' ' ' PRO . 91.4 m-20 -130.38 54.15 13.79 Favored Pre-proline 0 C--N 1.327 -0.384 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.312 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.516 ' HD3' ' N ' ' A' ' 54' ' ' ASN . 7.9 Cg_exo -72.06 -31.92 11.61 Favored 'Trans proline' 0 C--N 1.349 0.573 0 C-N-CA 122.191 1.927 . . . . 0.0 111.606 -178.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 13.8 p -69.53 -20.92 24.27 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.777 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 78.0 mtp -95.17 7.14 47.06 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.524 -0.762 . . . . 0.0 111.391 -175.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.45 HG21 HD11 ' A' ' 40' ' ' LEU . 9.4 tp -76.67 -18.51 14.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 C-N-CA 120.9 -0.32 . . . . 0.0 110.646 -177.739 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.51 -52.52 38.13 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.472 -176.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.45 ' HG3' ' HH2' ' A' ' 113' ' ' TRP . 17.2 pt-20 -68.6 -29.17 67.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.96 0.41 . . . . 0.0 110.537 -179.448 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.781 HD21 HD22 ' A' ' 116' ' ' LEU . 2.4 tm? -70.33 -55.69 8.54 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.542 179.236 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 32.4 tp -55.91 -36.88 68.19 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.303 -0.862 . . . . 0.0 112.284 -174.847 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -74.5 14.35 0.48 Allowed 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 112.127 0.417 . . . . 0.0 112.127 -176.661 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -87.72 -18.19 30.02 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 108.354 -0.98 . . . . 0.0 108.354 173.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -121.74 62.85 14.23 Favored Pre-proline 0 CA--C 1.532 0.274 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.139 -176.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -84.23 43.3 1.33 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.213 1.942 . . . . 0.0 112.251 -175.098 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 77.5 mt-30 -82.59 -38.45 23.61 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.234 179.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -122.22 177.64 5.27 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.525 -0.761 . . . . 0.0 109.561 -175.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -90.38 89.98 7.84 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 173.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.403 ' CE3' HG13 ' A' ' 38' ' ' VAL . 78.5 m95 -75.64 141.2 42.85 Favored 'General case' 0 C--N 1.322 -0.609 0 CA-C-O 121.434 0.635 . . . . 0.0 110.616 -179.478 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -126.75 136.34 52.29 Favored 'General case' 0 C--N 1.313 -0.985 0 CA-C-N 115.204 -0.907 . . . . 0.0 108.665 178.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.6 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 17.0 t -105.25 129.41 58.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.625 0 CA-C-O 121.058 0.456 . . . . 0.0 110.582 -176.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.02 151.61 46.87 Favored 'General case' 0 C--N 1.321 -0.672 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.832 179.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.508 HG12 ' HB2' ' A' ' 40' ' ' LEU . 14.4 m -129.44 161.74 38.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.06 178.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.51 ' O ' ' HB2' ' A' ' 42' ' ' SER . . . -132.29 165.08 25.0 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 121.186 -0.206 . . . . 0.0 110.906 -177.586 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.502 ' HB3' ' HG2' ' A' ' 79' ' ' GLN . 18.4 t70 -63.87 157.29 25.07 Favored 'General case' 0 C--O 1.234 0.27 0 O-C-N 123.512 0.508 . . . . 0.0 110.84 -178.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.459 ' H ' HD12 ' A' ' 77' ' ' LEU . 7.3 mp -51.13 -57.03 9.77 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.016 0.747 . . . . 0.0 113.016 -171.282 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -77.05 -40.93 44.45 Favored 'General case' 0 N--CA 1.45 -0.46 0 N-CA-C 112.075 0.398 . . . . 0.0 112.075 -172.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.537 ' O ' HG13 ' A' ' 83' ' ' ILE . 3.7 pt20 -65.64 -29.46 70.04 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.628 0.251 . . . . 0.0 111.013 -176.007 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 69.1 m -52.82 -33.11 47.75 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.757 176.013 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -69.48 -41.29 76.33 Favored 'General case' 0 C--N 1.33 -0.273 0 N-CA-C 109.519 -0.549 . . . . 0.0 109.519 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.32 -29.24 62.55 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.16 -179.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.537 HG13 ' O ' ' A' ' 79' ' ' GLN . 69.2 mt -63.98 -36.12 75.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.039 179.684 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -62.19 -33.68 86.71 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.362 -0.923 . . . . 0.0 111.592 175.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -74.77 -34.33 62.44 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.873 0.368 . . . . 0.0 110.182 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 26.8 tpt180 -56.2 -43.49 78.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.92 175.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.457 ' HB2' HG23 ' A' ' 89' ' ' VAL . 25.8 m-85 -83.49 -1.1 52.86 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.782 179.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.429 HD22 ' N ' ' A' ' 88' ' ' ASN . 0.9 OUTLIER 64.05 38.63 8.38 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.584 -0.735 . . . . 0.0 110.697 178.328 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.559 HG12 ' H ' ' A' ' 90' ' ' ARG . 10.4 t -88.36 173.03 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.113 178.624 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.582 ' HB2' ' CE1' ' A' ' 92' ' ' PHE . 53.4 mmm-85 -70.76 7.03 1.23 Allowed 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 112.274 0.472 . . . . 0.0 112.274 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 62.92 89.04 0.09 Allowed 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 122.892 0.477 . . . . 0.0 111.438 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.706 ' HE2' ' HB2' ' A' ' 108' ' ' SER . 52.2 p90 -170.71 155.44 4.77 Favored Pre-proline 0 C--N 1.326 -0.443 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 178.138 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 17.5 Cg_endo -59.74 118.13 4.97 Favored 'Trans proline' 0 C--N 1.346 0.425 0 C-N-CA 122.507 2.138 . . . . 0.0 112.015 177.186 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -160.63 158.97 29.82 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.093 -174.513 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 20.4 m -89.82 131.12 35.93 Favored 'General case' 0 C--N 1.317 -0.838 0 CA-C-N 115.958 -0.565 . . . . 0.0 109.517 175.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.494 ' O ' ' HA ' ' A' ' 38' ' ' VAL . 3.4 mm? -91.35 125.39 36.09 Favored 'General case' 0 C--N 1.32 -0.682 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.013 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.7 t -99.94 112.39 32.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-N 115.689 -0.687 . . . . 0.0 110.973 -175.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.466 ' CZ ' HD13 ' A' ' 103' ' ' LEU . 34.4 m-85 -121.34 131.49 54.22 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.196 178.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 60.6 p -141.34 130.98 24.03 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.425 -0.807 . . . . 0.0 109.881 -179.551 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 1.6 t70 63.4 19.36 11.64 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-O 121.359 0.599 . . . . 0.0 111.065 177.005 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 81.9 6.0 89.32 Favored Glycine 0 N--CA 1.45 -0.393 0 C-N-CA 120.994 -0.622 . . . . 0.0 112.005 -177.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 64.2 tttp -107.24 142.3 37.19 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.825 0.345 . . . . 0.0 110.623 -177.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.466 HD13 ' CZ ' ' A' ' 98' ' ' PHE . 48.7 tp -80.02 122.48 26.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.406 178.514 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 23.3 mmm180 -99.9 -34.22 10.21 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.885 179.398 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 146.08 -166.94 27.92 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.454 -0.879 . . . . 0.0 112.449 176.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -110.81 158.8 18.28 Favored 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 179.044 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -126.22 111.89 15.12 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.652 -0.499 . . . . 0.0 109.652 -176.805 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.706 ' HB2' ' HE2' ' A' ' 92' ' ' PHE . 13.2 t -124.71 127.16 46.83 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 109.169 -0.678 . . . . 0.0 109.169 175.874 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -80.94 109.52 2.98 Favored Glycine 0 N--CA 1.446 -0.683 0 C-N-CA 120.479 -0.867 . . . . 0.0 113.064 -175.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 50.4 mm -64.75 -38.81 83.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 N-CA-C 107.947 -1.131 . . . . 0.0 107.947 169.4 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 16.7 m170 -123.14 141.58 36.22 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 114.447 -1.251 . . . . 0.0 108.021 167.049 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 79.4 Cg_exo -51.11 -31.31 35.17 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 123.129 2.553 . . . . 0.0 113.791 -178.204 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.45 ' HH2' ' HG3' ' A' ' 60' ' ' GLU . 5.3 t-105 -145.16 -165.58 2.21 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 120.974 -0.291 . . . . 0.0 111.18 -178.184 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 71.92 -90.02 0.02 OUTLIER 'General case' 0 C--O 1.235 0.297 0 C-N-CA 124.172 0.989 . . . . 0.0 112.092 174.653 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -65.09 -22.35 66.94 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.633 0.254 . . . . 0.0 111.468 -176.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.781 HD22 HD21 ' A' ' 61' ' ' LEU . 9.5 tt -53.88 -45.3 71.02 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.134 175.731 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.42 HD22 ' N ' ' A' ' 117' ' ' LEU . 3.3 mm? -65.72 -42.91 90.52 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.319 -179.149 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.7 m -59.73 -48.15 82.81 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.023 -179.8 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.411 HD13 ' HA ' ' A' ' 119' ' ' LEU . 4.3 mm? -71.68 -48.89 44.4 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.293 -179.061 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.401 ' HB2' ' O ' ' A' ' 116' ' ' LEU . 0.0 OUTLIER -59.15 -39.44 82.43 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.585 -0.28 . . . . 0.0 111.004 -177.382 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 48.7 mtt180 -61.29 -36.84 81.15 Favored 'General case' 0 N--CA 1.453 -0.278 0 N-CA-C 111.692 0.256 . . . . 0.0 111.692 -179.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 21.5 t -68.94 -30.86 69.4 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.136 0.493 . . . . 0.0 109.955 176.843 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 48.8 mm -65.87 -38.79 82.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.333 178.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 28.2 m -99.18 20.15 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.374 179.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -84.4 -13.11 53.11 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.343 0.592 . . . . 0.0 110.342 179.607 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -70.67 143.35 89.69 Favored Pre-proline 0 C--N 1.323 -0.573 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.512 -178.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 23.2 Cg_endo -61.9 112.53 1.53 Allowed 'Trans proline' 0 C--O 1.234 0.293 0 C-N-CA 122.812 2.341 . . . . 0.0 112.098 178.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -115.31 126.56 54.61 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.722 179.765 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -170.07 -49.75 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.685 -0.688 . . . . 0.0 109.223 -177.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -173.2 93.6 0.1 Allowed 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 115.221 -0.9 . . . . 0.0 110.617 173.609 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -96.14 85.76 4.09 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 109.049 -0.723 . . . . 0.0 109.049 174.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 26.5 m -73.42 -30.07 62.99 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.751 -0.659 . . . . 0.0 111.471 -173.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 17.7 m -75.88 120.86 26.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.259 0.552 . . . . 0.0 110.591 178.736 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.404 ' H ' ' HG2' ' A' ' 134' ' ' GLN . 7.7 pt20 -82.88 88.18 6.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.626 0.727 . . . . 0.0 110.751 -178.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 96.4 mt -96.92 103.85 15.82 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.721 -177.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.533 ' OE2' ' HA ' ' A' ' 138' ' ' HIS . 3.7 pt-20 -86.82 177.5 7.28 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.008 175.218 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . 0.421 ' O ' ' HB2' ' A' ' 138' ' ' HIS . 33.9 t60 -99.72 19.01 16.72 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.533 ' HA ' ' OE2' ' A' ' 136' ' ' GLU . 16.2 m-70 74.54 -28.58 0.19 Allowed 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 115.283 -0.872 . . . . 0.0 111.603 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -70.82 107.25 3.91 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 108.693 -0.855 . . . . 0.0 108.693 168.435 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 53.6 m-70 -82.81 163.63 21.09 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.422 -173.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 53.8 m-70 -73.73 112.16 9.56 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.718 -0.475 . . . . 0.0 109.718 175.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 3.2 p80 . . . . . 0 C--O 1.251 1.172 0 CA-C-O 118.122 -0.942 . . . . 0.0 108.875 175.029 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.2 mtm . . . . . 0 N--CA 1.479 0.983 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -84.77 89.2 7.47 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.133 0.492 . . . . 0.0 110.553 179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 19.3 p-10 -87.54 8.64 24.11 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.77 -0.65 . . . . 0.0 110.238 179.165 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -146.32 132.59 19.49 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.436 -0.802 . . . . 0.0 109.661 -177.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.443 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 8.2 t -97.63 128.37 34.62 Favored Pre-proline 0 C--N 1.325 -0.498 0 CA-C-O 121.102 0.477 . . . . 0.0 110.374 179.731 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.443 ' HD3' ' HA ' ' A' ' 5' ' ' THR . 5.4 Cg_exo -76.28 82.54 2.2 Favored 'Trans proline' 0 N--CA 1.456 -0.699 0 C-N-CA 122.672 2.248 . . . . 0.0 111.97 -179.334 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 3.1 t80 70.7 168.89 0.31 Allowed 'General case' 0 CA--C 1.534 0.363 0 CA-C-N 115.732 -0.667 . . . . 0.0 110.51 178.021 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.2 t -86.16 39.66 0.83 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.203 0.525 . . . . 0.0 109.658 177.633 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.419 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -55.7 -40.52 72.5 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.762 -176.011 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.452 ' O ' HD23 ' A' ' 14' ' ' LEU . 84.1 mt -55.4 -44.94 76.62 Favored 'General case' 0 N--CA 1.465 0.298 0 CA-C-O 121.038 0.447 . . . . 0.0 111.244 -178.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.404 ' NE1' HD11 ' A' ' 15' ' ' LEU . 57.8 t-105 -82.9 -50.52 8.51 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.718 -0.674 . . . . 0.0 110.95 -177.577 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 28.5 tt0 -50.82 -43.89 59.09 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.555 -0.748 . . . . 0.0 112.668 -178.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.427 ' HG3' HD22 ' A' ' 14' ' ' LEU . 35.8 ptt180 -66.04 -28.49 68.89 Favored 'General case' 0 N--CA 1.464 0.233 0 C-N-CA 120.841 -0.343 . . . . 0.0 111.8 -174.555 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.452 HD23 ' O ' ' A' ' 10' ' ' LEU . 4.2 mm? -71.2 -38.49 72.05 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 176.188 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.404 HD11 ' NE1' ' A' ' 11' ' ' TRP . 84.4 mt -64.21 -35.53 81.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.839 174.349 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 28.9 m -68.37 -27.14 65.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.408 -0.814 . . . . 0.0 111.213 -179.623 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 23.7 ttt180 -70.06 -26.44 64.01 Favored 'General case' 0 C--O 1.232 0.174 0 CA-C-O 120.794 0.331 . . . . 0.0 110.362 178.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.32 20.78 5.77 Favored Glycine 0 N--CA 1.445 -0.74 0 C-N-CA 120.405 -0.903 . . . . 0.0 112.642 178.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 37.2 m0 -83.04 136.33 34.53 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.836 0.35 . . . . 0.0 110.346 176.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 27.6 mp0 -89.9 120.1 69.37 Favored Pre-proline 0 N--CA 1.448 -0.562 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.608 -177.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.413 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 57.0 Cg_endo -74.56 105.4 2.05 Favored 'Trans proline' 0 N--CA 1.456 -0.734 0 C-N-CA 122.15 1.9 . . . . 0.0 110.373 170.588 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.497 HG13 ' HB1' ' A' ' 73' ' ' ALA . 9.1 m -84.78 160.81 3.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-O 121.455 0.645 . . . . 0.0 111.471 -175.475 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.647 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 36.7 mt-10 -115.17 -175.59 2.73 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 115.084 -0.962 . . . . 0.0 109.64 -178.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -87.18 -50.26 6.73 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.906 0.384 . . . . 0.0 111.307 -175.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 14.4 t -76.83 -36.37 56.91 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.883 -173.415 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.4 t -105.9 19.48 20.46 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 122.152 -0.343 . . . . 0.0 111.859 -174.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.647 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 12.7 p -65.09 -39.26 85.01 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.259 0 CA-C-O 120.674 0.273 . . . . 0.0 111.241 -179.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.503 ' HA ' HD12 ' A' ' 31' ' ' ILE . 4.7 p-10 -75.14 -23.52 57.84 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-O 120.533 0.206 . . . . 0.0 110.76 -176.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -66.59 -43.6 84.44 Favored 'General case' 0 CA--C 1.518 -0.279 0 N-CA-C 109.897 -0.409 . . . . 0.0 109.897 177.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -60.28 -45.19 94.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.914 -0.584 . . . . 0.0 110.04 176.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.503 HD12 ' HA ' ' A' ' 28' ' ' ASP . 76.2 mt -59.23 -43.43 89.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.822 178.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.478 ' HD2' ' O ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -66.04 -32.08 73.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.181 0.515 . . . . 0.0 110.234 178.749 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -75.35 -45.61 38.25 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.684 -0.689 . . . . 0.0 110.906 -175.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.6 m -86.13 -31.59 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-O 120.965 0.412 . . . . 0.0 111.684 -178.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 85.55 -54.65 4.84 Favored Glycine 0 N--CA 1.445 -0.724 0 C-N-CA 121.127 -0.559 . . . . 0.0 111.926 -179.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 38.0 m-20 -126.26 129.11 48.27 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 120.673 0.273 . . . . 0.0 110.267 -176.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 174.95 176.0 42.89 Favored Glycine 0 N--CA 1.449 -0.466 0 C-N-CA 120.859 -0.686 . . . . 0.0 112.336 -178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 26.2 m -132.06 144.14 38.04 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.739 0.304 . . . . 0.0 111.189 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 3.3 mp -110.64 126.48 67.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.988 -0.551 . . . . 0.0 109.83 176.379 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.545 ' HB2' HG12 ' A' ' 74' ' ' VAL . 80.4 mt -96.88 129.7 44.28 Favored 'General case' 0 C--O 1.236 0.347 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.691 177.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.476 ' HB2' ' HB3' ' A' ' 93' ' ' PRO . 92.5 mt -96.74 160.87 14.14 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 109.997 -0.372 . . . . 0.0 109.997 174.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.1 t -61.23 101.32 0.16 Allowed 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.723 -0.473 . . . . 0.0 109.723 176.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.886 ' HA ' ' HG2' ' A' ' 93' ' ' PRO . 19.3 m -77.1 -27.93 54.27 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.385 0.513 . . . . 0.0 112.385 -170.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.46 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 11.9 p-10 -89.46 118.34 68.98 Favored Pre-proline 0 C--N 1.325 -0.496 0 CA-C-O 121.02 0.438 . . . . 0.0 110.419 -178.56 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.46 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 7.2 Cg_exo -73.59 -65.09 0.03 OUTLIER 'Trans proline' 0 N--CA 1.463 -0.275 0 C-N-CA 122.936 2.424 . . . . 0.0 111.715 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -109.55 -44.92 3.78 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 176.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.7 tpt180 -148.63 161.07 42.46 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 114.935 -1.03 . . . . 0.0 108.575 174.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.423 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 16.9 p -52.97 109.29 1.39 Allowed Pre-proline 0 CA--C 1.535 0.392 0 O-C-N 123.586 0.554 . . . . 0.0 111.299 176.391 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 48' ' ' THR . 61.5 Cg_endo -88.46 103.64 0.45 Allowed 'Trans proline' 0 N--CA 1.456 -0.711 0 C-N-CA 122.98 2.453 . . . . 0.0 114.022 -172.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 60.91 -96.81 0.06 Allowed 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.305 -0.861 . . . . 0.0 111.863 175.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 6.9 m -147.36 21.96 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.37 -178.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 20.2 t -98.38 23.93 7.88 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.348 0.594 . . . . 0.0 110.133 -175.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.437 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 7.2 p-10 -141.63 -150.56 0.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.388 -0.823 . . . . 0.0 110.27 -175.309 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.437 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 54.5 m-80 78.7 108.49 0.03 OUTLIER Pre-proline 0 N--CA 1.472 0.651 0 C-N-CA 124.093 0.957 . . . . 0.0 111.598 -177.536 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 54' ' ' ASN . 6.1 Cg_exo -80.75 -9.29 13.31 Favored 'Trans proline' 0 N--CA 1.461 -0.414 0 C-N-CA 123.293 2.662 . . . . 0.0 111.871 176.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.41 ' O ' ' HB2' ' A' ' 57' ' ' MET . 34.4 m -79.25 156.67 4.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.323 177.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.45 ' HA ' ' OE1' ' A' ' 60' ' ' GLU . 87.8 mtp 71.4 6.5 5.78 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.281 179.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.494 HD12 HD13 ' A' ' 61' ' ' LEU . 9.3 tp -76.84 -16.13 14.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.057 0.456 . . . . 0.0 109.845 176.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -72.53 -53.51 11.81 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.87 -178.447 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.593 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 1.5 pm0 -64.93 -30.45 71.44 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.096 0.475 . . . . 0.0 110.302 176.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.638 HD21 HD21 ' A' ' 116' ' ' LEU . 7.1 tt -64.28 -55.09 23.78 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.705 175.24 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 51.3 tp -60.05 -39.32 85.53 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.3 -0.863 . . . . 0.0 111.921 -179.105 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.593 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 5.3 ptp180 -75.14 15.13 0.45 Allowed 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 120.886 0.374 . . . . 0.0 111.656 -176.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.481 ' O ' ' HD3' ' A' ' 66' ' ' PRO . 38.1 mm-40 -74.64 -12.27 60.4 Favored 'General case' 0 N--CA 1.453 -0.312 0 N-CA-C 110.009 -0.367 . . . . 0.0 110.009 172.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -114.64 80.64 6.45 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.485 178.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.481 ' HD3' ' O ' ' A' ' 64' ' ' GLU . 5.9 Cg_exo -74.41 -6.96 19.08 Favored 'Trans proline' 0 N--CA 1.463 -0.291 0 C-N-CA 122.817 2.344 . . . . 0.0 111.603 178.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -54.8 -48.53 72.64 Favored 'General case' 0 C--N 1.333 -0.142 0 CA-C-N 115.591 -0.732 . . . . 0.0 109.64 176.644 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.472 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 5.6 m-85 -108.71 -174.35 2.49 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.353 -0.84 . . . . 0.0 109.881 178.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -127.72 106.25 9.01 Favored 'General case' 0 C--N 1.321 -0.65 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 173.05 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.472 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 11.2 m95 -96.27 151.31 19.63 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.175 -170.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -111.23 157.89 19.59 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 170.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 20.4 t -109.87 119.23 58.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 CA-C-O 120.856 0.36 . . . . 0.0 110.418 -178.795 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.497 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -115.95 148.27 40.25 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.199 178.11 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.545 HG12 ' HB2' ' A' ' 40' ' ' LEU . 16.9 m -131.58 149.52 33.1 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 CA-C-O 120.939 0.399 . . . . 0.0 111.212 -178.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -82.59 149.12 27.63 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 171.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.512 ' O ' ' HB2' ' A' ' 77' ' ' LEU . 13.6 p-10 -81.26 30.6 0.34 Allowed 'General case' 0 C--N 1.321 -0.661 0 CA-C-O 120.746 0.307 . . . . 0.0 110.644 -177.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.512 ' HB2' ' O ' ' A' ' 76' ' ' ASP . 10.4 mp 73.82 -47.59 0.65 Allowed 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 123.596 0.759 . . . . 0.0 110.59 -174.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -67.6 -51.26 52.49 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.613 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.509 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 0.7 OUTLIER -56.26 -23.38 35.81 Favored 'General case' 0 C--O 1.224 -0.272 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -177.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.438 ' HA ' HD22 ' A' ' 41' ' ' LEU . 8.4 m -49.66 -43.9 47.35 Favored 'General case' 0 N--CA 1.468 0.431 0 N-CA-C 112.45 0.537 . . . . 0.0 112.45 -172.662 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -65.23 -45.74 83.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.131 0.491 . . . . 0.0 110.469 -178.615 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -68.61 -44.9 73.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.852 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 63.5 mt -61.98 -39.2 82.83 Favored 'Isoleucine or valine' 0 C--O 1.235 0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.806 -179.714 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.5 -51.73 56.07 Favored Glycine 0 N--CA 1.447 -0.587 0 C-N-CA 120.619 -0.801 . . . . 0.0 111.939 178.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 38.6 t70 -67.17 -33.65 75.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.888 0.375 . . . . 0.0 110.78 -178.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.2 tpt180 -57.87 -34.65 69.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.067 178.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 24.6 m-85 -106.68 13.98 27.44 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.815 -179.577 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 31.5 m-80 64.23 31.98 12.71 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 115.576 -0.738 . . . . 0.0 111.156 175.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.789 HG12 ' H ' ' A' ' 90' ' ' ARG . 2.4 t -91.65 -158.93 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 N-CA-C 108.376 -0.972 . . . . 0.0 108.376 175.661 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.789 ' H ' HG12 ' A' ' 89' ' ' VAL . 43.8 ttt180 -162.53 -175.03 4.27 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 109.391 -0.596 . . . . 0.0 109.391 -173.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.688 ' H ' ' HG2' ' A' ' 90' ' ' ARG . 7.5 tpp180 -56.52 157.13 5.4 Favored 'General case' 0 CA--C 1.532 0.275 0 N-CA-C 109.908 -0.405 . . . . 0.0 109.908 175.714 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.435 ' HA ' ' HD3' ' A' ' 93' ' ' PRO . 97.5 m-85 70.54 96.63 0.04 OUTLIER Pre-proline 0 N--CA 1.467 0.391 0 N-CA-C 109.276 -0.638 . . . . 0.0 109.276 -170.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.886 ' HG2' ' HA ' ' A' ' 43' ' ' SER . 8.2 Cg_exo -72.85 -175.69 2.01 Favored 'Trans proline' 0 C--O 1.236 0.379 0 C-N-CA 123.862 3.041 . . . . 0.0 114.42 -167.361 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -171.75 162.63 6.28 Favored 'General case' 0 CA--C 1.515 -0.374 0 CA-C-N 114.56 -1.2 . . . . 0.0 109.472 -174.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 29.6 m -83.39 128.35 34.44 Favored 'General case' 0 C--N 1.316 -0.89 0 N-CA-C 108.904 -0.776 . . . . 0.0 108.904 171.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.95 123.74 34.67 Favored 'General case' 0 C--N 1.322 -0.622 0 C-N-CA 120.456 -0.497 . . . . 0.0 109.692 179.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.1 t -98.53 108.16 21.63 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.731 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.143 -176.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 38.6 m-85 -111.35 130.82 55.56 Favored 'General case' 0 C--N 1.32 -0.71 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.925 179.358 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -146.07 141.14 27.3 Favored 'General case' 0 C--N 1.316 -0.88 0 CA-C-N 115.281 -0.872 . . . . 0.0 109.125 -178.2 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.7 t70 63.1 21.54 12.93 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.54 0.686 . . . . 0.0 110.778 -179.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.54 9.54 82.11 Favored Glycine 0 N--CA 1.448 -0.532 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.207 -176.289 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 55.0 mttp -123.64 157.1 34.56 Favored 'General case' 0 C--O 1.235 0.314 0 CA-C-O 120.807 0.336 . . . . 0.0 110.876 -178.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 63.9 tp -76.2 129.24 36.43 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.274 179.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.479 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -99.38 -42.09 7.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.481 176.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 169.29 -173.55 43.68 Favored Glycine 0 N--CA 1.449 -0.463 0 C-N-CA 120.63 -0.795 . . . . 0.0 112.404 178.467 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -125.8 147.32 49.45 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 110.278 -0.267 . . . . 0.0 110.278 179.4 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -125.87 105.07 8.67 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.832 0.349 . . . . 0.0 110.164 -176.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 11.7 t -97.08 166.34 11.64 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 109.126 -0.694 . . . . 0.0 109.126 178.63 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -71.42 76.48 0.63 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 121.3 -0.476 . . . . 0.0 113.425 -175.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.5 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 13.4 pt -86.7 83.09 2.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.593 0 CA-C-O 121.09 0.472 . . . . 0.0 110.175 174.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.5 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 58.3 m80 72.14 148.94 0.12 Allowed Pre-proline 0 N--CA 1.465 0.297 0 CA-C-N 115.264 -0.88 . . . . 0.0 110.528 -172.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_endo -62.11 107.55 0.57 Allowed 'Trans proline' 0 N--CA 1.463 -0.288 0 C-N-CA 122.149 1.899 . . . . 0.0 111.901 179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 20.7 t-105 65.33 -121.3 0.39 Allowed 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 178.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 50.67 -89.08 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 113.992 1.108 . . . . 0.0 113.992 172.453 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -77.45 -19.55 55.84 Favored 'General case' 0 CA--C 1.519 -0.24 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.843 -171.612 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.638 HD21 HD21 ' A' ' 61' ' ' LEU . 8.5 tt -54.59 -42.88 71.6 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.15 178.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -57.75 -46.16 84.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.961 177.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.7 m -63.25 -51.37 66.47 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.225 -179.052 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.0 -50.06 65.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.961 -174.353 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.474 ' HG2' ' O ' ' A' ' 116' ' ' LEU . 24.5 ptt? -64.5 -34.05 77.33 Favored 'General case' 0 C--N 1.33 -0.266 0 C-N-CA 120.549 -0.46 . . . . 0.0 111.631 -176.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -73.8 -37.17 65.01 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-O 120.71 0.29 . . . . 0.0 111.43 -179.429 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 16.0 t -64.81 -30.61 71.63 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.991 -177.528 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 61.7 mt -73.98 -42.26 52.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.846 0.355 . . . . 0.0 110.81 -179.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 34.8 m -84.89 11.94 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 121.044 0.45 . . . . 0.0 111.314 -178.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -67.01 -25.05 66.1 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.392 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.406 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 68.2 p 61.61 152.32 0.1 Allowed Pre-proline 0 N--CA 1.476 0.863 0 C-N-CA 124.413 1.085 . . . . 0.0 112.461 -178.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 126' ' ' THR . 9.5 Cg_exo -71.73 93.69 0.7 Allowed 'Trans proline' 0 C--N 1.345 0.345 0 C-N-CA 122.846 2.364 . . . . 0.0 113.056 -177.099 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -110.86 -25.01 10.08 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 121.193 0.521 . . . . 0.0 110.032 173.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -101.26 166.12 10.93 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.437 -0.802 . . . . 0.0 110.185 176.083 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 50.4 mt-30 -67.03 122.76 18.46 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.179 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 68.18 119.67 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 121.91 0.862 . . . . 0.0 113.137 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 3.4 p -102.78 42.24 1.17 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.15 -0.932 . . . . 0.0 109.929 174.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 27.4 m -59.95 146.76 9.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.443 -0.799 . . . . 0.0 111.365 -178.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 36.5 tt0 -128.77 -61.6 1.05 Allowed 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.276 -175.066 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 3.8 mm? 68.32 155.14 0.11 Allowed 'General case' 0 N--CA 1.469 0.504 0 CA-C-N 115.622 -0.717 . . . . 0.0 112.061 177.525 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 73.95 -44.08 0.56 Allowed 'General case' 0 N--CA 1.469 0.512 0 CA-C-N 115.121 -0.945 . . . . 0.0 111.499 175.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 50.3 t-80 -83.81 132.46 34.82 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 172.073 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -64.27 139.02 58.72 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.366 0.603 . . . . 0.0 112.47 -171.297 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -121.8 -78.32 0.6 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.026 -0.988 . . . . 0.0 109.977 171.673 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER 56.76 -161.08 0.21 Allowed 'General case' 0 N--CA 1.462 0.14 0 CA-C-O 121.135 0.493 . . . . 0.0 110.493 -178.203 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -124.12 -51.32 1.78 Allowed 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 107.731 -1.211 . . . . 0.0 107.731 168.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 . . . . . 0 C--O 1.245 0.865 0 CA-C-N 114.744 -1.116 . . . . 0.0 108.519 168.388 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.7 ttm . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 121.038 0.447 . . . . 0.0 110.476 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.82 -8.88 0.21 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.802 -0.636 . . . . 0.0 110.886 178.165 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 58.1 t30 69.26 -70.72 0.13 Allowed 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.431 0.692 . . . . 0.0 110.634 -178.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 36.7 t70 47.78 76.97 0.1 Allowed 'General case' 0 N--CA 1.465 0.312 0 O-C-N 123.754 0.659 . . . . 0.0 112.098 176.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.475 ' HA ' ' HD3' ' A' ' 6' ' ' PRO . 17.0 p -135.58 135.02 21.38 Favored Pre-proline 0 C--N 1.323 -0.559 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.736 179.483 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.581 ' HA ' ' HD1' ' A' ' 11' ' ' TRP . 6.3 Cg_exo -78.84 95.34 1.07 Allowed 'Trans proline' 0 N--CA 1.459 -0.516 0 C-N-CA 122.922 2.415 . . . . 0.0 111.187 174.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -67.12 -39.1 86.57 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.715 -176.608 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.1 p -141.35 167.71 21.51 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.624 -0.262 . . . . 0.0 110.495 179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -62.48 -46.73 87.13 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.784 178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.436 ' HG ' HG23 ' A' ' 48' ' ' THR . 3.2 tm? -59.26 -44.59 92.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.915 178.403 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.581 ' HD1' ' HA ' ' A' ' 6' ' ' PRO . 57.9 t-105 -56.95 -50.31 73.01 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.823 177.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -58.08 -37.41 74.42 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.296 178.087 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.743 ' HA ' ' HE ' ' A' ' 13' ' ' ARG . 5.3 mmp_? -69.92 -29.14 66.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.737 -0.211 . . . . 0.0 111.369 -179.451 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 97.8 mt -68.5 -40.51 80.86 Favored 'General case' 0 C--N 1.327 -0.396 0 N-CA-C 109.676 -0.49 . . . . 0.0 109.676 174.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 81.8 mt -62.96 -27.44 69.4 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.49 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 57.0 m -62.09 -43.55 98.59 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.611 175.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 25.3 ttm180 -70.15 -32.96 71.18 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 132.37 -135.01 7.89 Favored Glycine 0 N--CA 1.447 -0.616 0 C-N-CA 120.974 -0.632 . . . . 0.0 112.388 174.341 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.761 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 34.3 m0 71.39 155.64 0.15 Allowed 'General case' 0 CA--C 1.53 0.187 0 CA-C-O 121.681 0.753 . . . . 0.0 112.653 176.33 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.403 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 2.1 mp0 -87.83 116.98 67.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.238 -175.876 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 20' ' ' GLN . 11.9 Cg_exo -71.93 114.31 3.93 Favored 'Trans proline' 0 C--O 1.234 0.29 0 C-N-CA 122.678 2.252 . . . . 0.0 111.465 175.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 30.1 m -116.61 164.95 12.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 CA-C-O 121.001 0.429 . . . . 0.0 111.519 -177.644 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 46.3 mt-10 -120.03 176.88 5.22 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.85 -0.613 . . . . 0.0 109.617 178.067 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -68.17 -32.45 72.71 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.096 0.474 . . . . 0.0 110.756 179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.6 p -93.94 -3.53 51.42 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.21 -176.219 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 22.4 p -125.21 -9.3 7.03 Favored 'General case' 0 C--N 1.33 -0.266 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -177.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.496 ' O ' HG13 ' A' ' 31' ' ' ILE . 7.9 p -64.53 -42.38 95.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -175.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -76.17 -31.66 58.64 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.698 0.285 . . . . 0.0 110.448 -176.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -63.67 -39.43 94.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 121.449 0.642 . . . . 0.0 109.62 175.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 86.2 t90 -64.25 -49.68 70.96 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 114.93 -1.032 . . . . 0.0 110.451 175.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.496 HG13 ' O ' ' A' ' 27' ' ' VAL . 93.9 mt -58.47 -41.37 81.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.203 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.991 179.774 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.492 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.4 OUTLIER -55.48 -36.54 66.73 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.722 179.457 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 40.6 ttt85 -80.21 -47.2 15.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.048 0.451 . . . . 0.0 111.098 -176.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.9 m -71.55 -41.84 72.2 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.521 -177.07 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.23 -57.59 5.03 Favored Glycine 0 N--CA 1.444 -0.779 0 N-CA-C 111.883 -0.487 . . . . 0.0 111.883 179.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 -121.52 106.79 11.72 Favored 'General case' 0 C--N 1.316 -0.882 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 -175.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -163.6 177.78 39.36 Favored Glycine 0 N--CA 1.445 -0.709 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.903 -177.193 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 10.3 m -132.87 140.69 46.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-O 121.014 0.435 . . . . 0.0 111.151 -178.751 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.4 HG13 ' HB3' ' A' ' 73' ' ' ALA . 4.3 mp -116.24 133.12 63.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.135 -179.809 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.528 HD21 HG12 ' A' ' 58' ' ' ILE . 65.2 mt -96.97 128.79 44.29 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.032 175.683 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.4 mt -81.22 169.93 16.73 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.528 178.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.875 ' HB2' ' HA ' ' A' ' 77' ' ' LEU . 0.2 OUTLIER -48.56 -47.57 39.39 Favored 'General case' 0 C--N 1.33 -0.273 0 O-C-N 123.867 0.729 . . . . 0.0 110.934 179.318 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.441 ' CB ' ' HB3' ' A' ' 93' ' ' PRO . 20.8 m 64.86 22.02 12.44 Favored 'General case' 0 C--O 1.234 0.247 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.679 174.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.48 ' OD1' HD22 ' A' ' 77' ' ' LEU . 2.6 p-10 -143.75 165.9 22.32 Favored Pre-proline 0 C--N 1.325 -0.483 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.316 -177.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.406 ' HD2' ' HB2' ' A' ' 44' ' ' ASP . 73.8 Cg_endo -79.83 -33.04 1.3 Allowed 'Trans proline' 0 CA--C 1.535 0.542 0 C-N-CA 122.422 2.081 . . . . 0.0 112.959 176.369 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 175.55 -35.29 0.01 OUTLIER 'General case' 0 N--CA 1.467 0.391 0 N-CA-C 108.633 -0.877 . . . . 0.0 108.633 -179.49 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 57.3 mtm180 -143.09 136.06 27.91 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 114.69 -1.141 . . . . 0.0 108.531 172.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.436 HG23 ' HG ' ' A' ' 10' ' ' LEU . 3.4 t -127.42 84.97 62.0 Favored Pre-proline 0 C--N 1.319 -0.733 0 CA-C-O 121.64 0.733 . . . . 0.0 110.734 175.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 93.6 Cg_endo -90.23 -3.42 5.27 Favored 'Trans proline' 0 N--CA 1.458 -0.572 0 C-N-CA 122.988 2.459 . . . . 0.0 111.947 176.56 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 40.1 tt0 -98.8 134.66 41.37 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.197 -177.447 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 21.7 t -82.4 71.1 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 121.397 0.618 . . . . 0.0 110.199 178.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.4 p -92.46 -51.56 5.07 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.537 175.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 9.3 t0 -144.81 147.27 32.68 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.58 -0.736 . . . . 0.0 109.195 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.436 ' HA ' ' HD3' ' A' ' 55' ' ' PRO . 18.9 p-10 -151.21 129.96 6.26 Favored Pre-proline 0 C--N 1.322 -0.588 0 CA-C-O 121.054 0.454 . . . . 0.0 111.094 -174.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.436 ' HD3' ' HA ' ' A' ' 54' ' ' ASN . 7.6 Cg_exo -72.58 84.73 1.18 Allowed 'Trans proline' 0 N--CA 1.464 -0.261 0 C-N-CA 123.22 2.614 . . . . 0.0 112.817 -178.438 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 50.6 t -120.92 -37.87 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 115.844 -0.616 . . . . 0.0 109.777 174.762 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . . . . . . . . . 1.9 mpt? -66.49 -12.54 57.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.116 -0.947 . . . . 0.0 111.6 -175.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.528 HG12 HD21 ' A' ' 40' ' ' LEU . 2.0 mp -59.59 -30.87 45.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.52 179.433 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.53 -39.26 93.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.31 -0.404 . . . . 0.0 111.049 177.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.579 ' OE1' ' HD2' ' A' ' 63' ' ' ARG . 4.3 tp10 -68.9 -34.88 76.13 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 121.224 0.535 . . . . 0.0 110.01 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -67.56 -51.01 55.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.377 -0.828 . . . . 0.0 110.061 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.46 ' HG ' ' HB2' ' A' ' 70' ' ' TRP . 6.8 tt -55.02 -46.94 75.27 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.383 -0.826 . . . . 0.0 111.151 -178.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.579 ' HD2' ' OE1' ' A' ' 60' ' ' GLU . 7.0 ptp180 -73.58 -8.63 56.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.598 -0.274 . . . . 0.0 111.53 -175.103 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -82.93 -14.8 53.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.04 0.448 . . . . 0.0 110.344 -178.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.1 m-85 -112.17 83.5 5.12 Favored Pre-proline 0 C--N 1.326 -0.416 0 N-CA-C 109.657 -0.497 . . . . 0.0 109.657 174.114 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.483 ' HG3' ' HE1' ' A' ' 141' ' ' HIS . 96.7 Cg_endo -83.98 44.63 1.6 Allowed 'Trans proline' 0 C--N 1.344 0.306 0 C-N-CA 123.049 2.499 . . . . 0.0 112.98 -172.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 23.8 mm-40 -127.81 -46.22 1.42 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.335 179.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.527 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 13.5 m-85 -92.23 143.2 26.66 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 174.753 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -91.34 91.5 8.18 Favored 'General case' 0 C--N 1.318 -0.764 0 N-CA-C 107.938 -1.134 . . . . 0.0 107.938 169.063 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.527 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 30.4 m95 -75.88 138.39 41.04 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.182 0.515 . . . . 0.0 111.077 -173.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.4 mp0 -103.11 130.76 50.37 Favored 'General case' 0 C--N 1.312 -1.041 0 N-CA-C 108.227 -1.027 . . . . 0.0 108.227 170.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.761 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 17.8 t -100.3 123.79 53.4 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 177.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.4 ' HB3' HG13 ' A' ' 39' ' ' ILE . . . -110.31 156.17 21.09 Favored 'General case' 0 C--N 1.314 -0.937 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.342 179.141 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 4.0 m -120.06 133.84 65.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-O 121.036 0.446 . . . . 0.0 110.67 178.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -99.9 133.75 43.8 Favored 'General case' 0 C--N 1.32 -0.695 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.409 178.435 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -59.73 153.85 19.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.044 178.036 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.875 ' HA ' ' HB2' ' A' ' 42' ' ' SER . 21.7 mt -56.15 -50.69 70.43 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.998 -0.547 . . . . 0.0 110.987 -177.081 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -72.41 -40.37 67.22 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.466 -178.192 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -62.33 -28.24 69.61 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 115.439 -0.8 . . . . 0.0 111.693 178.657 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.536 ' CB ' ' HB3' ' A' ' 42' ' ' SER . 57.8 m -62.9 -21.38 65.98 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.518 -0.31 . . . . 0.0 111.715 -179.02 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 50.4 tp10 -58.38 -52.25 66.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.018 0.437 . . . . 0.0 110.396 177.107 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.46 -41.36 39.91 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.892 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 75.6 mt -63.2 -48.21 88.68 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.217 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.606 -177.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.29 -39.36 97.1 Favored Glycine 0 C--N 1.332 0.32 0 C-N-CA 120.972 -0.632 . . . . 0.0 112.178 -178.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -68.21 -39.39 82.43 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 121.161 0.505 . . . . 0.0 110.46 178.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.6 ttt180 -61.82 -33.19 73.69 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.312 -0.858 . . . . 0.0 111.338 -177.59 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 25.7 m-85 -99.04 5.01 47.25 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.625 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 39.4 m-80 65.35 27.91 11.88 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 115.616 -0.72 . . . . 0.0 111.72 176.296 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.619 HG21 HD11 ' A' ' 96' ' ' LEU . 5.9 t -93.6 1.67 9.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-O 121.917 0.865 . . . . 0.0 108.785 175.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.424 ' N ' ' HD2' ' A' ' 90' ' ' ARG . 1.3 mpt_? 66.07 -87.72 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 114.396 -1.275 . . . . 0.0 110.951 179.172 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 91' ' ' ARG . 41.1 ttm105 -167.3 29.9 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.491 0.662 . . . . 0.0 109.554 -177.323 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -107.48 142.17 24.57 Favored Pre-proline 0 C--N 1.327 -0.396 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.647 -178.399 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.441 ' HB3' ' CB ' ' A' ' 43' ' ' SER . 9.7 Cg_endo -55.14 120.3 7.96 Favored 'Trans proline' 0 C--O 1.235 0.37 0 C-N-CA 123.004 2.47 . . . . 0.0 112.425 177.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -163.08 145.92 10.5 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.356 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 18.7 m -85.44 131.64 34.35 Favored 'General case' 0 C--N 1.317 -0.829 0 N-CA-C 108.887 -0.783 . . . . 0.0 108.887 172.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.619 HD11 HG21 ' A' ' 89' ' ' VAL . 3.7 mm? -90.48 124.33 34.9 Favored 'General case' 0 C--N 1.318 -0.786 0 C-N-CA 120.416 -0.514 . . . . 0.0 109.945 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 48.1 t -97.87 110.35 25.38 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 CA-C-N 115.728 -0.669 . . . . 0.0 109.918 -178.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 29.1 m-85 -114.13 136.13 53.27 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.332 0.587 . . . . 0.0 111.361 -179.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.8 m -151.54 146.86 26.18 Favored 'General case' 0 C--N 1.318 -0.783 0 N-CA-C 107.754 -1.202 . . . . 0.0 107.754 176.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 65.08 14.89 9.67 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 123.486 0.491 . . . . 0.0 110.411 -173.127 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 70.48 17.53 74.64 Favored Glycine 0 N--CA 1.452 -0.25 0 CA-C-N 115.903 -0.59 . . . . 0.0 112.031 -172.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -127.02 154.18 44.97 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.662 0.268 . . . . 0.0 110.322 -175.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 61.5 tp -72.69 120.03 17.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 121.058 0.456 . . . . 0.0 111.087 -178.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.775 ' HA ' ' HE ' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -93.4 -49.51 5.89 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.933 178.222 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 178.05 -170.53 42.78 Favored Glycine 0 N--CA 1.447 -0.623 0 CA-C-N 115.626 -0.715 . . . . 0.0 111.63 179.705 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -123.81 146.64 48.21 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.968 0.414 . . . . 0.0 110.606 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -112.68 93.6 4.51 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 -179.393 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 6.6 m -86.43 -15.73 39.37 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.936 -177.542 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -88.35 110.66 3.67 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 120.875 -0.679 . . . . 0.0 111.755 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 56.4 mt -108.96 -29.65 2.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-O 121.22 0.533 . . . . 0.0 110.313 -179.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.619 ' H ' ' HD2' ' A' ' 112' ' ' PRO . 17.7 m170 -101.14 -48.6 0.19 Allowed Pre-proline 0 C--N 1.327 -0.406 0 N-CA-C 112.936 0.717 . . . . 0.0 112.936 -175.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.619 ' HD2' ' H ' ' A' ' 111' ' ' HIS . 29.4 Cg_endo -64.39 97.61 0.26 Allowed 'Trans proline' 0 C--N 1.356 0.954 0 C-N-CA 121.869 1.713 . . . . 0.0 112.257 178.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.42 ' O ' ' HB2' ' A' ' 114' ' ' ALA . 6.0 t-105 -117.53 115.87 26.0 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.799 -176.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . 0.42 ' HB2' ' O ' ' A' ' 113' ' ' TRP . . . 166.95 -65.0 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 O-C-N 124.305 1.003 . . . . 0.0 108.557 179.519 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.405 ' HG2' ' H ' ' A' ' 115' ' ' GLU . 9.2 pt-20 -79.44 -17.7 53.72 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 114.646 -1.161 . . . . 0.0 109.707 177.397 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.442 ' O ' HD23 ' A' ' 116' ' ' LEU . 6.1 tt -57.4 -33.67 68.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.07 -0.968 . . . . 0.0 109.603 175.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 87.0 mt -55.38 -48.09 74.85 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.785 179.488 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.9 m -69.0 -39.34 79.38 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.385 0.612 . . . . 0.0 110.845 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.44 HD22 ' HA ' ' A' ' 119' ' ' LEU . 0.9 OUTLIER -68.88 -49.73 55.74 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.674 -0.693 . . . . 0.0 110.739 -175.071 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 27.1 ptt? -59.97 -36.32 76.88 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.224 -0.443 . . . . 0.0 112.012 -175.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 70.1 mtt180 -67.66 -35.69 79.34 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.017 0.437 . . . . 0.0 111.333 -176.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.7 m -65.08 -30.21 71.15 Favored 'General case' 0 N--CA 1.438 -1.056 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.186 176.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . . . . . . . . . 67.4 mt -74.72 -46.43 41.68 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.175 0 CA-C-O 121.009 0.433 . . . . 0.0 110.618 178.401 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 27.4 m -84.64 33.51 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.234 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -71.95 -27.44 62.79 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.005 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.401 HG21 ' HD2' ' A' ' 104' ' ' ARG . 15.3 t -61.8 140.21 95.45 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 115.81 -0.632 . . . . 0.0 111.094 -178.394 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 94.2 Cg_endo -79.35 178.0 7.92 Favored 'Trans proline' 0 N--CA 1.456 -0.679 0 C-N-CA 122.456 2.104 . . . . 0.0 111.295 175.089 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . 0.401 ' HB3' ' HE1' ' A' ' 68' ' ' PHE . . . -161.85 -166.26 1.42 Allowed 'General case' 0 C--N 1.32 -0.69 0 N-CA-C 109.543 -0.539 . . . . 0.0 109.543 178.867 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -73.9 95.12 2.4 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.738 -0.467 . . . . 0.0 109.738 175.432 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 13.7 tm0? -79.2 102.57 8.59 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.202 0.525 . . . . 0.0 110.161 -175.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -99.75 110.36 22.75 Favored 'General case' 0 C--N 1.317 -0.806 0 N-CA-C 108.697 -0.853 . . . . 0.0 108.697 172.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 11.8 m -69.29 -27.76 65.69 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.323 -177.647 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . 0.625 HG12 ' H ' ' A' ' 135' ' ' LEU . 41.2 t 70.07 126.59 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.464 0.233 0 CA-C-N 115.304 -0.862 . . . . 0.0 110.793 178.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -80.56 -10.66 59.73 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.791 -175.567 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.625 ' H ' HG12 ' A' ' 133' ' ' VAL . 41.2 tp -115.87 148.53 39.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.242 -178.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -76.63 165.03 25.32 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 120.969 0.414 . . . . 0.0 110.996 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -90.21 15.74 9.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.847 177.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 78.5 t60 70.09 6.67 5.87 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.994 179.367 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 11.8 t-80 -158.08 139.6 13.65 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.887 -0.412 . . . . 0.0 109.887 178.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -106.38 162.38 13.74 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 109.791 -0.448 . . . . 0.0 109.791 177.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . 0.483 ' HE1' ' HG3' ' A' ' 66' ' ' PRO . 29.9 p80 -164.47 45.42 0.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.253 0.549 . . . . 0.0 110.516 173.4 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 59.0 t-80 . . . . . 0 C--O 1.245 0.856 0 CA-C-O 118.535 -0.745 . . . . 0.0 109.605 178.479 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.1 ttm . . . . . 0 N--CA 1.482 1.137 0 CA-C-O 120.841 0.353 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.84 125.43 47.37 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 120.621 0.248 . . . . 0.0 110.592 -179.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 6.8 t30 -70.31 -65.12 0.77 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.089 0.471 . . . . 0.0 109.789 177.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . 0.424 ' HB2' ' H ' ' A' ' 5' ' ' THR . 0.8 OUTLIER -119.07 -76.3 0.58 Allowed 'General case' 0 C--N 1.328 -0.354 0 N-CA-C 108.201 -1.037 . . . . 0.0 108.201 173.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.424 ' H ' ' HB2' ' A' ' 4' ' ' ASP . 5.0 p -143.67 126.19 8.64 Favored Pre-proline 0 C--N 1.324 -0.543 0 CA-C-N 114.638 -1.165 . . . . 0.0 109.073 175.744 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.97 -32.71 95.43 Favored 'Trans proline' 0 CA--C 1.528 0.194 0 C-N-CA 122.626 2.217 . . . . 0.0 112.831 -177.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 62.3 m-85 -124.05 146.26 48.68 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.83 -176.649 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 35.3 p -63.12 -32.39 73.76 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.201 -178.346 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.24 -30.89 66.88 Favored 'General case' 0 N--CA 1.464 0.231 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.84 -178.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.458 ' O ' ' HG2' ' A' ' 13' ' ' ARG . 82.0 mt -70.94 -37.89 72.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.084 0.469 . . . . 0.0 110.545 -179.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 44.4 t-105 -76.14 -45.35 34.04 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.121 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -46.64 -35.82 6.36 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 114.948 -1.024 . . . . 0.0 112.61 176.397 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.503 ' HG2' HD22 ' A' ' 14' ' ' LEU . 16.1 ptt180 -60.98 -31.9 71.48 Favored 'General case' 0 CA--C 1.533 0.322 0 C-N-CA 120.836 -0.346 . . . . 0.0 111.09 -176.795 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.503 HD22 ' HG2' ' A' ' 13' ' ' ARG . 2.8 mm? -73.65 -40.53 63.66 Favored 'General case' 0 C--O 1.233 0.192 0 CA-C-O 121.052 0.453 . . . . 0.0 110.154 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 55.8 mt -63.96 -40.95 97.58 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.04 178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 16.4 m -66.52 -26.11 67.0 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.227 -179.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . 0.405 HH11 ' HD2' ' A' ' 17' ' ' ARG . 24.6 ttt180 -78.09 -5.64 52.16 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.982 -176.847 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 114.95 16.72 7.2 Favored Glycine 0 C--N 1.331 0.267 0 C-N-CA 120.215 -0.993 . . . . 0.0 113.883 173.358 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.415 ' CH2' ' HA ' ' A' ' 56' ' ' VAL . 49.7 m0 -99.43 133.26 44.01 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.94 0.37 . . . . 0.0 110.776 177.397 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.409 HE21 ' HB2' ' A' ' 20' ' ' GLN . 1.8 mp0 -92.12 122.97 64.01 Favored Pre-proline 0 N--CA 1.448 -0.565 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.738 -179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.426 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 72.5 Cg_endo -79.3 103.65 1.65 Allowed 'Trans proline' 0 N--CA 1.46 -0.484 0 C-N-CA 122.374 2.049 . . . . 0.0 111.133 174.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.4 m -92.36 176.8 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 121.39 0.614 . . . . 0.0 112.077 -172.811 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.536 ' HB2' HG22 ' A' ' 26' ' ' THR . 43.0 mt-10 -113.47 175.0 5.64 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.236 -0.893 . . . . 0.0 109.472 -179.305 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -77.11 -18.52 57.89 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.029 0.442 . . . . 0.0 110.805 179.398 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 3.2 p -89.14 -52.98 4.79 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.835 -0.621 . . . . 0.0 111.418 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.536 HG22 ' HB2' ' A' ' 23' ' ' GLU . 13.0 t -71.68 -23.17 61.61 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.89 -174.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 11.6 p -62.67 -35.05 68.66 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 N-CA-C 111.814 0.302 . . . . 0.0 111.814 -174.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -65.25 -50.73 64.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.023 0.44 . . . . 0.0 110.534 -176.659 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -68.48 -37.45 80.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.982 -0.554 . . . . 0.0 110.652 179.623 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 85.6 t90 -56.14 -49.28 74.39 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.681 178.234 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 90.4 mt -63.88 -42.43 95.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.889 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.415 ' HE3' ' HB3' ' A' ' 32' ' ' LYS . 0.5 OUTLIER -59.91 -38.64 82.87 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.311 0.577 . . . . 0.0 109.864 177.281 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.409 HH11 ' HD3' ' A' ' 33' ' ' ARG . 11.0 ttt180 -69.59 -47.49 63.38 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.546 -176.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.6 m -80.05 -39.87 19.9 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 CA-C-N 115.644 -0.707 . . . . 0.0 111.468 -176.469 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 80.22 -50.82 4.04 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.995 -0.622 . . . . 0.0 111.929 -177.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 33.2 m-20 -117.87 131.29 56.56 Favored 'General case' 0 C--N 1.321 -0.657 0 N-CA-C 109.909 -0.404 . . . . 0.0 109.909 -179.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 170.33 177.73 40.7 Favored Glycine 0 N--CA 1.446 -0.67 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.117 -179.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 13.7 m -134.84 133.25 54.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 120.983 0.42 . . . . 0.0 110.955 -178.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 39' ' ' ILE . 3.4 mp -109.31 128.22 65.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.575 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.566 178.474 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.562 ' HB2' HG12 ' A' ' 74' ' ' VAL . 4.3 mm? -104.47 131.12 52.22 Favored 'General case' 0 C--N 1.323 -0.587 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.252 178.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.605 ' HB2' ' HB2' ' A' ' 93' ' ' PRO . 56.8 mt -91.34 164.3 13.9 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.729 -0.471 . . . . 0.0 109.729 177.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 32.8 t -58.67 -83.48 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 112.789 0.662 . . . . 0.0 112.789 -172.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.9 p -157.75 -174.29 4.78 Favored 'General case' 0 C--N 1.328 -0.369 0 O-C-N 122.046 -0.409 . . . . 0.0 111.318 -176.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -138.95 93.8 10.31 Favored Pre-proline 0 C--O 1.234 0.284 0 CA-C-N 116.069 -0.514 . . . . 0.0 109.624 175.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . . . . . . . . . 58.0 Cg_endo -93.98 41.88 0.21 Allowed 'Trans proline' 0 N--CA 1.449 -1.099 0 C-N-CA 122.7 2.267 . . . . 0.0 111.861 177.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 58.3 mtt180 -129.26 -38.85 1.56 Allowed 'General case' 0 CA--C 1.517 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.887 178.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.427 ' HA ' ' HD2' ' A' ' 47' ' ' ARG . 9.1 tpt180 -74.79 -23.38 58.49 Favored 'General case' 0 C--N 1.325 -0.494 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 174.159 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 6.6 m 47.0 65.34 7.09 Favored Pre-proline 0 CA--C 1.532 0.281 0 CA-C-N 114.761 -1.109 . . . . 0.0 112.149 177.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 9.3 Cg_exo -71.24 -32.81 12.29 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 122.32 2.013 . . . . 0.0 111.498 179.68 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 65.47 129.4 0.02 OUTLIER 'General case' 0 N--CA 1.463 0.2 0 CA-C-N 115.162 -0.927 . . . . 0.0 110.04 -172.53 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . . . . . . . . . 22.5 t 56.44 67.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 -169.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 7.8 p -71.91 153.7 41.68 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.211 -0.904 . . . . 0.0 111.221 -175.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -63.31 108.29 1.27 Allowed 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.13 177.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 38.0 t-20 -83.21 118.41 71.54 Favored Pre-proline 0 C--N 1.327 -0.41 0 CA-C-N 115.937 -0.574 . . . . 0.0 109.652 -178.638 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 62.0 Cg_endo -72.82 12.58 0.7 Allowed 'Trans proline' 0 C--N 1.342 0.232 0 C-N-CA 123.151 2.567 . . . . 0.0 113.743 -174.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.415 ' HA ' ' CH2' ' A' ' 19' ' ' TRP . 9.4 p -68.29 -21.53 26.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-O 121.321 0.581 . . . . 0.0 110.679 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.539 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 2.2 mpt? -83.85 1.8 41.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.85 177.302 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.423 HG13 HD13 ' A' ' 62' ' ' LEU . 10.0 tp -63.7 -21.48 28.72 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.28 0 CA-C-O 121.147 0.498 . . . . 0.0 110.885 -176.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.56 ' O ' ' HG3' ' A' ' 63' ' ' ARG . . . -61.0 -43.2 99.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.726 -177.511 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.539 ' HG2' ' O ' ' A' ' 57' ' ' MET . 16.2 pt-20 -70.94 -30.06 66.26 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.756 0.312 . . . . 0.0 110.74 -176.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.455 HD22 ' HA ' ' A' ' 61' ' ' LEU . 1.4 tm? -65.74 -49.39 68.59 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.313 0.578 . . . . 0.0 109.812 179.345 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.423 HD13 HG13 ' A' ' 58' ' ' ILE . 9.2 mp -61.46 -22.59 65.2 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.589 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.56 ' HG3' ' O ' ' A' ' 59' ' ' ALA . 75.3 mtp180 -71.24 -11.8 61.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.537 -0.302 . . . . 0.0 111.423 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -88.27 -8.08 55.76 Favored 'General case' 0 N--CA 1.447 -0.597 0 CA-C-O 120.941 0.4 . . . . 0.0 110.207 178.448 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -126.85 65.19 61.95 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.18 178.347 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -77.44 7.13 3.94 Favored 'Trans proline' 0 C--N 1.345 0.355 0 C-N-CA 122.586 2.191 . . . . 0.0 112.719 -173.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 55.2 mt-30 -68.83 -44.45 73.41 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.11 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.59 ' HD2' ' CZ2' ' A' ' 70' ' ' TRP . 8.9 m-85 -96.23 162.31 13.57 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.232 -175.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -96.35 83.76 3.61 Favored 'General case' 0 C--N 1.323 -0.549 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 173.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.59 ' CZ2' ' HD2' ' A' ' 68' ' ' PHE . 63.0 m95 -70.51 139.89 51.72 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.541 -0.754 . . . . 0.0 111.068 -175.599 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 22.2 mt-30 -130.29 124.27 31.99 Favored 'General case' 0 C--N 1.315 -0.901 0 CA-C-N 115.278 -0.874 . . . . 0.0 109.436 177.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 24.8 t -96.13 127.3 48.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.226 -174.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -126.02 149.54 48.77 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 116.019 -0.537 . . . . 0.0 109.689 176.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.562 HG12 ' HB2' ' A' ' 40' ' ' LEU . 26.0 m -129.09 164.61 31.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-O 120.766 0.317 . . . . 0.0 111.062 -176.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.54 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -123.41 130.02 52.11 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.12 177.777 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.507 ' HB3' HD12 ' A' ' 77' ' ' LEU . 5.9 m-20 -61.08 -82.02 0.02 OUTLIER 'General case' 0 N--CA 1.465 0.325 0 O-C-N 123.407 0.442 . . . . 0.0 112.005 -176.635 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.507 HD12 ' HB3' ' A' ' 76' ' ' ASP . 5.9 mp -132.4 -78.98 0.5 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.582 -178.446 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 3.5 pm0 -61.06 -32.1 71.75 Favored 'General case' 0 N--CA 1.452 -0.341 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.341 -177.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.54 ' HB2' ' HB1' ' A' ' 75' ' ' ALA . 22.4 mp0 -56.92 -38.87 73.48 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.513 179.492 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . 0.493 ' HA ' HD22 ' A' ' 41' ' ' LEU . 49.6 m -61.85 -36.94 82.69 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.821 0.344 . . . . 0.0 110.73 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -67.25 -41.82 84.96 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.198 -178.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.31 -45.64 25.57 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.531 -178.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' A' ' 86' ' ' ARG . 72.0 mt -64.66 -43.05 96.65 Favored 'Isoleucine or valine' 0 C--O 1.236 0.388 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.784 -178.45 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -57.4 -52.07 53.9 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.858 179.385 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -66.27 -31.11 71.71 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.704 0.287 . . . . 0.0 110.838 -178.536 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.412 ' HB3' ' O ' ' A' ' 83' ' ' ILE . 30.7 tpt180 -54.82 -40.02 69.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.744 176.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -99.54 2.84 45.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.906 178.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . 0.482 HD22 ' N ' ' A' ' 88' ' ' ASN . 0.9 OUTLIER 68.46 24.16 7.23 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.635 -0.711 . . . . 0.0 110.961 179.949 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.669 HG21 HD11 ' A' ' 96' ' ' LEU . 99.8 t -92.67 102.82 14.0 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 CA-C-N 115.384 -0.825 . . . . 0.0 109.073 175.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 4.8 ptp180 -127.93 -12.59 5.29 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.915 -0.584 . . . . 0.0 111.237 -174.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.412 ' O ' ' HB2' ' A' ' 92' ' ' PHE . 99.5 mtt180 -105.12 98.41 8.12 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.421 ' HA ' ' HD2' ' A' ' 93' ' ' PRO . 71.1 m-85 70.52 121.77 0.03 OUTLIER Pre-proline 0 N--CA 1.466 0.33 0 O-C-N 123.931 0.769 . . . . 0.0 110.834 -172.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.605 ' HB2' ' HB2' ' A' ' 41' ' ' LEU . 12.3 Cg_endo -56.48 -82.6 0.01 OUTLIER 'Trans proline' 0 CA--C 1.533 0.427 0 C-N-CA 123.093 2.529 . . . . 0.0 112.451 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . 78.69 178.17 0.13 Allowed 'General case' 0 N--CA 1.463 0.21 0 CA-C-O 121.414 0.626 . . . . 0.0 112.09 166.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.436 ' O ' ' HA ' ' A' ' 106' ' ' ALA . 4.7 m -84.37 125.31 32.19 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 115.193 -0.912 . . . . 0.0 109.882 177.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.669 HD11 HG21 ' A' ' 89' ' ' VAL . 3.3 mm? -90.85 123.75 34.63 Favored 'General case' 0 C--N 1.32 -0.703 0 N-CA-C 108.782 -0.822 . . . . 0.0 108.782 175.087 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . 0.661 HG11 HG21 ' A' ' 123' ' ' ILE . 38.5 t -99.86 109.37 24.61 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.79 -174.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.3 m-85 -110.83 131.4 55.08 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 115.644 -0.707 . . . . 0.0 110.848 177.464 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -150.06 131.39 14.63 Favored 'General case' 0 C--N 1.317 -0.818 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.464 178.55 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.5 t70 65.02 20.12 12.02 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 121.822 0.82 . . . . 0.0 110.203 -177.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 74.4 7.49 78.46 Favored Glycine 0 N--CA 1.448 -0.542 0 C-N-CA 120.606 -0.806 . . . . 0.0 111.968 -174.217 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 47.0 mmtm -98.57 144.06 28.29 Favored 'General case' 0 C--N 1.326 -0.418 0 N-CA-C 110.176 -0.305 . . . . 0.0 110.176 178.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 46.6 tp -93.26 109.94 21.46 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 176.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 31.3 mmt180 -81.46 -30.31 33.45 Favored 'General case' 0 C--N 1.321 -0.669 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.145 -178.279 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 141.32 -172.85 23.65 Favored Glycine 0 N--CA 1.446 -0.681 0 CA-C-N 115.639 -0.709 . . . . 0.0 111.996 177.063 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.436 ' HA ' ' O ' ' A' ' 95' ' ' THR . . . -98.76 172.67 7.31 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 110.104 -0.332 . . . . 0.0 110.104 177.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.438 HD11 ' HG ' ' A' ' 116' ' ' LEU . 0.3 OUTLIER -120.54 92.11 3.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.057 0.456 . . . . 0.0 109.842 -178.097 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 19.1 m -99.52 101.0 12.09 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.447 -178.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -75.18 101.71 1.38 Allowed Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.002 179.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 22.7 pt -75.92 -9.82 12.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.08 0.467 . . . . 0.0 110.781 177.6 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.423 ' HB2' ' HG2' ' A' ' 115' ' ' GLU . 33.8 m80 -144.88 142.44 18.71 Favored Pre-proline 0 C--N 1.324 -0.534 0 N-CA-C 108.451 -0.944 . . . . 0.0 108.451 173.112 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_endo -52.75 113.16 1.12 Allowed 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 123.098 2.532 . . . . 0.0 112.651 -177.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 61.4 t-105 62.28 -93.15 0.04 OUTLIER 'General case' 0 CA--C 1.532 0.253 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.221 -176.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 24.44 -79.17 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 115.646 1.721 . . . . 0.0 115.646 171.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.423 ' HG2' ' HB2' ' A' ' 111' ' ' HIS . 1.7 mm-40 -61.37 -24.3 66.39 Favored 'General case' 0 C--O 1.235 0.334 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.675 -171.582 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.438 ' HG ' HD11 ' A' ' 107' ' ' LEU . 0.8 OUTLIER -55.52 -38.07 68.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.893 -176.473 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.94 -46.11 71.44 Favored 'General case' 0 N--CA 1.463 0.208 0 CA-C-O 120.919 0.39 . . . . 0.0 111.223 -179.584 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.7 m -75.64 -42.68 50.83 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.717 -179.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -62.31 -49.16 76.72 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.92 -0.582 . . . . 0.0 112.017 -177.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -61.13 -37.08 81.55 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.558 -0.292 . . . . 0.0 111.404 -174.144 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -69.34 -37.61 77.76 Favored 'General case' 0 N--CA 1.447 -0.577 0 CA-C-O 120.874 0.369 . . . . 0.0 111.177 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 12.6 t -65.99 -29.37 69.74 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.173 0.511 . . . . 0.0 110.157 177.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.661 HG21 HG11 ' A' ' 97' ' ' VAL . 78.7 mt -74.83 -47.3 38.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.173 178.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . . . . . . . . . 35.1 m -86.61 25.04 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 121.014 0.435 . . . . 0.0 111.72 -177.588 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -63.2 -27.2 69.2 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.678 178.258 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 35.7 m -55.55 119.29 23.64 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 115.755 -0.657 . . . . 0.0 111.024 178.035 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 25.6 Cg_exo -63.86 -26.28 67.39 Favored 'Trans proline' 0 C--N 1.345 0.354 0 C-N-CA 122.891 2.394 . . . . 0.0 112.364 -178.561 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 69.31 -65.81 0.28 Allowed 'General case' 0 N--CA 1.469 0.477 0 C-N-CA 123.453 0.701 . . . . 0.0 111.05 -178.41 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -74.18 123.56 24.71 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.492 -0.558 . . . . 0.0 109.492 176.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 64.34 82.12 0.19 Allowed 'General case' 0 C--N 1.33 -0.269 0 O-C-N 123.988 0.805 . . . . 0.0 109.786 -172.104 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -86.78 102.9 14.7 Favored 'General case' 0 C--N 1.321 -0.67 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.124 -179.228 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 28.8 m -65.71 -61.83 1.85 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.467 -175.196 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.7 p -172.55 130.14 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-O 121.267 0.556 . . . . 0.0 111.061 179.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -132.61 131.23 41.21 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.706 -0.679 . . . . 0.0 109.801 175.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . . . . . . . . . 77.9 mt -88.3 -46.86 8.85 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.111 -0.7 . . . . 0.0 109.111 175.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.499 ' HA ' ' OE1' ' A' ' 136' ' ' GLU . 2.5 tp10 41.63 77.8 0.05 Allowed 'General case' 0 C--O 1.235 0.328 0 O-C-N 124.467 1.104 . . . . 0.0 111.147 179.708 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 11.4 t-80 -63.24 108.41 1.28 Allowed 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.391 -0.822 . . . . 0.0 111.221 -175.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 21.3 p-80 -63.9 128.54 36.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.163 -0.471 . . . . 0.0 109.805 175.253 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -80.11 -55.37 4.98 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.905 -0.318 . . . . 0.0 111.131 -176.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -71.66 155.18 40.79 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 121.058 0.456 . . . . 0.0 111.173 -172.058 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 41.7 t60 -92.22 135.12 34.26 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.139 -179.017 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 28.0 t-80 . . . . . 0 C--O 1.246 0.878 0 CA-C-O 118.196 -0.907 . . . . 0.0 109.874 178.474 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 84.1 mmm . . . . . 0 N--CA 1.48 1.031 0 N-CA-C 110.528 -0.175 . . . . 0.0 110.528 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 66.31 108.78 0.04 OUTLIER 'General case' 0 N--CA 1.464 0.264 0 O-C-N 123.957 0.786 . . . . 0.0 112.388 175.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 66.91 19.64 10.61 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-N 115.513 -0.767 . . . . 0.0 111.183 174.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -87.45 160.56 18.25 Favored 'General case' 0 C--N 1.327 -0.382 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 175.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.7 m 69.32 87.43 0.11 Allowed Pre-proline 0 C--N 1.328 -0.33 0 O-C-N 123.738 0.649 . . . . 0.0 110.201 -178.724 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -88.99 -162.18 0.12 Allowed 'Trans proline' 0 N--CA 1.453 -0.86 0 C-N-CA 123.031 2.488 . . . . 0.0 112.57 -175.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 60.3 m-85 -83.32 -89.15 0.09 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.293 -179.194 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.8 m 56.58 -161.08 0.2 Allowed 'General case' 0 C--O 1.236 0.369 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.236 176.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.34 -28.25 68.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.383 -0.372 . . . . 0.0 110.309 176.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 52.0 tp -52.31 -51.33 59.27 Favored 'General case' 0 N--CA 1.463 0.178 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.421 179.591 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.429 ' NE1' HD11 ' A' ' 15' ' ' LEU . 48.0 t-105 -82.26 -46.65 13.41 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.781 179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 57.7 tt0 -52.28 -34.4 46.32 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.435 -0.802 . . . . 0.0 112.549 -178.215 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.507 ' O ' HG22 ' A' ' 16' ' ' THR . 1.2 ppt_? -63.94 -26.38 68.57 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -176.591 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.25 -30.77 60.59 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.087 0.47 . . . . 0.0 110.265 175.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.429 HD11 ' NE1' ' A' ' 11' ' ' TRP . 81.6 mt -74.97 -25.82 59.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.975 -175.051 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.507 HG22 ' O ' ' A' ' 13' ' ' ARG . 7.2 t -57.05 -24.92 57.37 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 116.212 -0.449 . . . . 0.0 112.183 -174.205 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 18.6 ttm180 -71.54 -6.9 44.09 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.1 0.476 . . . . 0.0 111.528 -177.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 107.95 17.02 11.42 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.556 -0.831 . . . . 0.0 112.53 177.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . . . . . . . . . 48.4 m0 -88.71 135.93 33.26 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.784 0.326 . . . . 0.0 110.38 179.148 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.8 mp0 -99.09 122.73 51.45 Favored Pre-proline 0 C--N 1.325 -0.475 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.911 -178.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 63.8 Cg_endo -76.28 115.23 4.06 Favored 'Trans proline' 0 N--CA 1.459 -0.533 0 C-N-CA 122.308 2.006 . . . . 0.0 111.364 173.438 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 31.6 m -101.45 163.48 3.2 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.118 -177.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.54 ' HB2' HG22 ' A' ' 26' ' ' THR . 35.6 mt-10 -96.88 -174.87 3.11 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.14 -179.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.55 -21.72 44.78 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.214 0.53 . . . . 0.0 110.449 176.536 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 4.8 p -94.87 -59.49 1.9 Allowed 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.688 -0.687 . . . . 0.0 111.331 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.54 HG22 ' HB2' ' A' ' 23' ' ' GLU . 13.6 t -67.04 -14.51 62.97 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.95 -173.814 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.475 HG11 HG12 ' A' ' 83' ' ' ILE . 11.4 p -62.81 -38.7 82.48 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.206 0 C-N-CA 121.061 -0.256 . . . . 0.0 111.033 -178.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -69.02 -43.02 75.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 121.383 0.611 . . . . 0.0 109.878 -178.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -66.67 -40.34 88.54 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.281 -0.872 . . . . 0.0 110.554 178.118 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -57.15 -51.54 68.9 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.481 177.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.513 ' HA ' HG22 ' A' ' 34' ' ' VAL . 94.7 mt -61.41 -41.77 91.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.82 179.782 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 14.1 tmtt? -60.84 -31.96 71.38 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.804 -0.634 . . . . 0.0 110.628 177.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.469 ' C ' ' HD3' ' A' ' 33' ' ' ARG . 0.0 OUTLIER -80.85 -45.88 16.17 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.907 -178.835 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.513 HG22 ' HA ' ' A' ' 31' ' ' ILE . 21.3 m -79.45 -39.36 20.61 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 CA-C-N 116.014 -0.539 . . . . 0.0 112.151 -174.146 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 78.56 -48.6 3.22 Favored Glycine 0 N--CA 1.45 -0.397 0 C-N-CA 121.362 -0.447 . . . . 0.0 113.002 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -119.88 125.88 49.56 Favored 'General case' 0 C--N 1.319 -0.749 0 C-N-CA 122.328 0.251 . . . . 0.0 110.714 -175.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.56 ' HA2' ' HB3' ' A' ' 70' ' ' TRP . . . 163.83 175.11 34.41 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.412 -0.899 . . . . 0.0 112.98 -178.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 20.0 m -130.89 141.34 46.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.79 0.329 . . . . 0.0 110.405 179.498 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.408 ' N ' HD12 ' A' ' 39' ' ' ILE . 3.4 mp -110.65 126.19 67.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.624 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.223 -179.268 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.575 HD21 HD13 ' A' ' 58' ' ' ILE . 78.6 mt -97.73 122.41 40.79 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.396 177.331 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 90.4 mt -87.31 160.0 18.57 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 174.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 35.8 t -61.06 133.65 56.27 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.822 0.344 . . . . 0.0 110.08 176.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.415 ' HA ' ' HB3' ' A' ' 93' ' ' PRO . 8.3 t -71.52 -37.88 71.16 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 109.324 -0.621 . . . . 0.0 109.324 179.172 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 61.77 169.29 0.09 OUTLIER Pre-proline 0 N--CA 1.467 0.38 0 CA-C-N 115.432 -0.804 . . . . 0.0 112.273 178.001 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.568 ' HA ' HG21 ' A' ' 51' ' ' VAL . 5.3 Cg_exo -80.17 42.43 1.32 Allowed 'Trans proline' 0 N--CA 1.456 -0.726 0 C-N-CA 122.186 1.924 . . . . 0.0 109.159 162.706 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -79.03 -42.83 25.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.129 -172.834 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.402 ' O ' ' HB ' ' A' ' 48' ' ' THR . 23.1 ptt180 -140.38 143.86 35.92 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.487 -0.779 . . . . 0.0 109.868 -177.365 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.406 ' HA ' ' HD2' ' A' ' 49' ' ' PRO . 91.6 m 72.16 120.95 0.03 OUTLIER Pre-proline 0 CA--C 1.533 0.289 0 O-C-N 123.747 0.655 . . . . 0.0 111.695 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.512 ' O ' ' HB3' ' A' ' 50' ' ' GLU . 30.2 Cg_endo -63.69 163.59 24.03 Favored 'Trans proline' 0 C--O 1.237 0.437 0 C-N-CA 122.481 2.121 . . . . 0.0 111.589 175.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.512 ' HB3' ' O ' ' A' ' 49' ' ' PRO . 24.1 tt0 77.64 -56.53 0.51 Allowed 'General case' 0 N--CA 1.47 0.536 0 O-C-N 123.798 0.686 . . . . 0.0 110.757 -179.155 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.568 HG21 ' HA ' ' A' ' 45' ' ' PRO . 34.3 t 62.18 83.5 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 121.473 0.654 . . . . 0.0 111.594 178.65 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 52.8 m -118.42 25.28 10.4 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.663 -0.698 . . . . 0.0 109.28 174.064 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.435 ' O ' ' HD3' ' A' ' 55' ' ' PRO . 38.0 t70 -77.19 101.07 6.02 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 115.07 -0.968 . . . . 0.0 110.452 -178.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 42.2 m-80 -105.66 100.66 28.18 Favored Pre-proline 0 C--N 1.326 -0.455 0 CA-C-N 115.976 -0.556 . . . . 0.0 110.325 -179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.435 ' HD3' ' O ' ' A' ' 53' ' ' ASP . 4.5 Cg_exo -78.13 43.36 1.38 Allowed 'Trans proline' 0 N--CA 1.463 -0.301 0 C-N-CA 123.207 2.605 . . . . 0.0 111.913 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.2 p -98.56 -17.63 6.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.47 0.652 . . . . 0.0 110.014 -178.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.607 ' O ' ' HG2' ' A' ' 60' ' ' GLU . 85.5 mtp -87.72 -4.28 58.91 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.32 -0.855 . . . . 0.0 110.655 -178.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.575 HD13 HD21 ' A' ' 40' ' ' LEU . 15.1 tt -68.56 -13.32 16.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.338 0.589 . . . . 0.0 110.31 178.25 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.603 ' O ' ' HG3' ' A' ' 63' ' ' ARG . . . -58.09 -46.91 84.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.69 -0.687 . . . . 0.0 110.874 177.352 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.607 ' HG2' ' O ' ' A' ' 57' ' ' MET . 12.6 pt-20 -68.94 -28.87 67.03 Favored 'General case' 0 C--N 1.332 -0.154 0 CA-C-N 116.484 -0.325 . . . . 0.0 110.721 -179.558 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.667 HD21 HD22 ' A' ' 116' ' ' LEU . 2.1 tm? -58.48 -51.27 70.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.022 -0.535 . . . . 0.0 109.754 175.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.428 ' HA ' HD13 ' A' ' 62' ' ' LEU . 4.2 mm? -63.59 -22.37 66.86 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.519 178.625 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.603 ' HG3' ' O ' ' A' ' 59' ' ' ALA . 43.4 mtp180 -77.3 -0.93 27.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.575 -0.284 . . . . 0.0 110.704 179.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . 0.49 ' HG3' HD11 ' A' ' 117' ' ' LEU . 0.3 OUTLIER -80.1 -18.37 50.12 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 108.796 -0.816 . . . . 0.0 108.796 175.551 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -126.2 58.52 25.59 Favored Pre-proline 0 N--CA 1.453 -0.32 0 CA-C-N 115.32 -0.854 . . . . 0.0 110.798 -179.022 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 88.8 Cg_endo -81.19 42.23 1.3 Allowed 'Trans proline' 0 C--N 1.349 0.592 0 C-N-CA 122.208 1.938 . . . . 0.0 111.461 -177.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 72.5 mt-30 -97.21 -45.37 6.54 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.18 -0.918 . . . . 0.0 109.062 178.374 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.5 ' HD2' ' NE1' ' A' ' 70' ' ' TRP . 25.8 m-85 -88.57 -35.13 17.08 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.242 174.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 16.6 t70 57.82 89.91 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.455 0 CA-C-N 115.459 -0.792 . . . . 0.0 109.229 -170.35 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.56 ' HB3' ' HA2' ' A' ' 37' ' ' GLY . 0.5 OUTLIER -89.91 158.25 17.51 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.018 -163.714 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -97.03 123.43 40.76 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.693 0.283 . . . . 0.0 110.45 178.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 40.2 t -96.17 127.63 48.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-O 120.737 0.303 . . . . 0.0 110.72 -178.166 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -121.89 153.86 37.87 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.267 177.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.555 HG12 ' HB2' ' A' ' 40' ' ' LEU . 27.3 m -129.31 165.54 29.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.08 179.66 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -122.39 136.93 54.99 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.254 -0.276 . . . . 0.0 110.254 177.486 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . 0.422 ' HB2' ' OE1' ' A' ' 79' ' ' GLN . 5.4 m-20 -64.41 -87.6 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 O-C-N 123.322 0.389 . . . . 0.0 111.701 -175.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 mp -130.38 -81.84 0.54 Allowed 'General case' 0 C--N 1.328 -0.337 0 O-C-N 122.253 -0.279 . . . . 0.0 111.182 -178.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -59.3 -31.18 68.89 Favored 'General case' 0 N--CA 1.453 -0.283 0 CA-C-O 121.218 0.532 . . . . 0.0 110.807 -178.279 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.47 ' CG ' ' HA ' ' A' ' 23' ' ' GLU . 24.1 mp0 -54.19 -50.4 67.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.113 -0.949 . . . . 0.0 110.63 178.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 50.1 m -54.19 -43.67 70.91 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.528 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -60.45 -44.62 95.65 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.769 -0.651 . . . . 0.0 110.793 -176.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -77.29 -32.77 55.68 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.549 -177.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.475 HG12 HG11 ' A' ' 27' ' ' VAL . 68.9 mt -66.7 -41.86 88.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.109 -178.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -61.96 -36.09 92.34 Favored Glycine 0 C--N 1.332 0.352 0 C-N-CA 120.382 -0.913 . . . . 0.0 111.563 176.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -67.32 -44.99 77.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.817 0.341 . . . . 0.0 110.201 176.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 30.7 tpt180 -57.04 -42.59 80.76 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.545 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . 0.661 ' CD2' ' HG ' ' A' ' 96' ' ' LEU . 22.6 m-30 -86.28 -6.76 58.89 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.312 -176.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 38.5 m-80 61.48 37.64 16.42 Favored 'General case' 0 N--CA 1.462 0.171 0 CA-C-O 121.19 0.519 . . . . 0.0 110.699 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.6 p -99.18 4.64 10.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 121.708 0.766 . . . . 0.0 109.449 179.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.645 ' HG2' ' H ' ' A' ' 91' ' ' ARG . 59.8 ttt180 70.24 176.65 0.28 Allowed 'General case' 0 CA--C 1.535 0.38 0 CA-C-N 114.511 -1.222 . . . . 0.0 109.785 -176.11 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.645 ' H ' ' HG2' ' A' ' 90' ' ' ARG . 74.8 mtp180 -89.6 73.67 7.7 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 120.982 0.42 . . . . 0.0 111.117 -174.394 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . . . . . . . . . 54.8 m-85 -142.11 150.07 54.41 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.219 177.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.415 ' HB3' ' HA ' ' A' ' 43' ' ' SER . 11.3 Cg_exo -70.02 114.56 3.78 Favored 'Trans proline' 0 N--CA 1.46 -0.477 0 C-N-CA 122.405 2.07 . . . . 0.0 111.823 176.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . 0.51 ' HB1' ' HB1' ' A' ' 106' ' ' ALA . . . -150.49 148.32 28.58 Favored 'General case' 0 C--N 1.32 -0.685 0 CA-C-N 115.631 -0.713 . . . . 0.0 110.339 -177.857 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 25.8 m -86.96 120.67 28.47 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 109.527 -0.545 . . . . 0.0 109.527 175.304 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.661 ' HG ' ' CD2' ' A' ' 87' ' ' PHE . 3.7 mm? -91.99 124.73 36.32 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.958 0.408 . . . . 0.0 110.227 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 46.6 t -99.55 117.26 44.44 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.798 -176.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 22.5 m-85 -116.85 132.51 56.68 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.048 178.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 24.1 p -133.87 121.8 22.26 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.772 -0.649 . . . . 0.0 110.227 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.2 t70 58.75 21.63 9.14 Favored 'General case' 0 N--CA 1.47 0.575 0 O-C-N 123.527 0.517 . . . . 0.0 111.674 178.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 93.71 -9.66 73.3 Favored Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.774 -176.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 2.8 mptp? -94.24 144.19 25.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 117.06 0.43 . . . . 0.0 110.129 179.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.45 ' HB3' ' HG3' ' A' ' 131' ' ' GLU . 65.6 tp -89.13 130.05 35.63 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.8 0.333 . . . . 0.0 110.271 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.667 ' HA ' ' NE ' ' A' ' 104' ' ' ARG . 2.3 mmp_? -92.42 -27.45 17.48 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.051 0.453 . . . . 0.0 110.392 176.762 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 131.2 -162.17 23.6 Favored Glycine 0 N--CA 1.446 -0.679 0 CA-C-N 115.823 -0.626 . . . . 0.0 111.982 178.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.51 ' HB1' ' HB1' ' A' ' 94' ' ' ALA . . . -99.35 152.01 20.43 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 110.186 -0.302 . . . . 0.0 110.186 179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.406 HD22 ' HA ' ' A' ' 107' ' ' LEU . 0.8 OUTLIER -108.75 105.1 14.54 Favored 'General case' 0 C--N 1.32 -0.692 0 N-CA-C 109.539 -0.541 . . . . 0.0 109.539 -178.402 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 50.5 m -146.11 102.51 3.63 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.885 177.703 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -103.35 -110.1 3.42 Favored Glycine 0 N--CA 1.444 -0.767 0 C-N-CA 120.593 -0.813 . . . . 0.0 111.707 179.006 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 3.5 mp -110.47 -83.65 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 178.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -170.24 -50.32 0.0 OUTLIER Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.292 178.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -75.64 -170.07 0.77 Allowed 'Trans proline' 0 C--N 1.357 0.981 0 C-N-CA 122.075 1.85 . . . . 0.0 112.793 176.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.428 ' NE1' HD21 ' A' ' 117' ' ' LEU . 7.3 t-105 -85.75 -135.19 0.06 Allowed 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.994 -176.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 66.41 -86.41 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.329 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 173.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -79.59 -11.97 59.86 Favored 'General case' 0 C--N 1.326 -0.452 0 N-CA-C 112.08 0.4 . . . . 0.0 112.08 -168.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.667 HD22 HD21 ' A' ' 61' ' ' LEU . 7.3 tt -59.02 -38.76 80.0 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.061 178.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.49 HD11 ' HG3' ' A' ' 64' ' ' GLU . 3.3 mm? -59.82 -51.0 71.6 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.361 179.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.1 m -58.94 -47.27 85.67 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.304 -178.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -67.96 -49.79 59.66 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.377 -178.398 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 27.2 ttt -67.43 -45.17 76.87 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.027 0.38 . . . . 0.0 112.027 -175.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.504 ' HA ' HG22 ' A' ' 124' ' ' VAL . 54.2 mtt-85 -64.26 -36.45 84.15 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-O 120.882 0.372 . . . . 0.0 111.353 -176.727 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 9.7 t -60.04 -35.09 74.35 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.724 178.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.505 HG22 ' HB3' ' A' ' 104' ' ' ARG . 71.8 mt -78.58 -37.6 21.23 Favored 'Isoleucine or valine' 0 C--O 1.234 0.272 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.185 -178.054 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.504 HG22 ' HA ' ' A' ' 121' ' ' ARG . 35.1 m -89.08 9.27 2.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.856 0.36 . . . . 0.0 111.6 -177.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -68.51 -34.26 75.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.079 0.466 . . . . 0.0 110.618 179.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 4.2 t -130.35 124.58 21.27 Favored Pre-proline 0 C--N 1.324 -0.525 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.662 178.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -81.61 -18.65 7.98 Favored 'Trans proline' 0 N--CA 1.461 -0.384 0 C-N-CA 122.524 2.149 . . . . 0.0 111.779 175.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -88.4 109.35 19.93 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.763 -176.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -151.9 -172.0 4.1 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-N 115.954 -0.566 . . . . 0.0 109.881 179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -91.13 16.09 10.44 Favored 'General case' 0 C--N 1.327 -0.405 0 N-CA-C 112.024 0.379 . . . . 0.0 112.024 -176.676 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . 0.45 ' HG3' ' HB3' ' A' ' 103' ' ' LEU . 8.8 tp10 -110.65 100.71 9.44 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 174.234 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 11.7 t -131.42 160.98 33.51 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.76 -174.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 58.7 t -126.2 130.87 72.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 179.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 25.2 mp0 -67.69 132.56 47.72 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 120.744 0.307 . . . . 0.0 110.234 179.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.4 HD13 ' HA ' ' A' ' 135' ' ' LEU . 3.8 mm? -71.34 97.25 1.56 Allowed 'General case' 0 C--N 1.323 -0.568 0 CA-C-O 121.237 0.542 . . . . 0.0 111.202 -174.474 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.525 ' HG3' ' H ' ' A' ' 138' ' ' HIS . 10.1 tp10 -95.66 134.12 38.93 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.957 177.292 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -71.47 -25.63 62.37 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.046 -0.524 . . . . 0.0 109.906 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . 0.525 ' H ' ' HG3' ' A' ' 136' ' ' GLU . 66.6 m-70 62.18 81.98 0.19 Allowed 'General case' 0 C--O 1.233 0.222 0 CA-C-N 115.345 -0.843 . . . . 0.0 111.346 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 45.9 m80 72.9 139.86 0.06 Allowed 'General case' 0 N--CA 1.464 0.272 0 CA-C-N 115.131 -0.94 . . . . 0.0 111.246 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 47.8 t-80 -71.01 -35.58 72.1 Favored 'General case' 0 C--N 1.326 -0.451 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 175.415 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -102.15 100.61 10.85 Favored 'General case' 0 C--N 1.324 -0.521 0 N-CA-C 109.077 -0.712 . . . . 0.0 109.077 173.207 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 42.9 t-80 . . . . . 0 C--O 1.249 1.058 0 CA-C-O 118.267 -0.873 . . . . 0.0 111.089 -173.501 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.2 pmm? . . . . . 0 N--CA 1.482 1.164 0 CA-C-O 120.637 0.256 . . . . 0.0 110.838 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.2 121.94 26.22 Favored 'General case' 0 N--CA 1.452 -0.354 0 N-CA-C 109.826 -0.435 . . . . 0.0 109.826 177.064 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 41.6 m-80 -135.07 -50.57 0.76 Allowed 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.864 -176.469 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 11.9 t70 61.78 102.93 0.03 OUTLIER 'General case' 0 C--O 1.233 0.206 0 O-C-N 124.082 0.864 . . . . 0.0 110.389 -172.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 m 68.03 69.24 0.47 Allowed Pre-proline 0 CA--C 1.535 0.376 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.738 -178.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 9.2 Cg_exo -72.5 -37.81 3.91 Favored 'Trans proline' 0 C--N 1.348 0.526 0 C-N-CA 122.807 2.338 . . . . 0.0 112.541 -178.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 29.0 p90 -144.32 160.79 40.42 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.48 -178.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 15.6 m -123.72 157.69 33.35 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.363 -0.38 . . . . 0.0 111.083 -176.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.546 ' O ' ' HG2' ' A' ' 13' ' ' ARG . . . -64.85 -54.76 25.89 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.65 -178.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.513 HD12 ' N ' ' A' ' 11' ' ' TRP . 4.1 pp -60.24 -27.75 67.47 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 121.001 0.429 . . . . 0.0 111.082 -178.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.513 ' N ' HD12 ' A' ' 10' ' ' LEU . 43.0 t-105 -66.72 -52.31 45.94 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.839 179.249 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -61.28 -28.0 68.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.736 177.652 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.546 ' HG2' ' O ' ' A' ' 9' ' ' ALA . 22.4 mmt180 -59.37 -43.66 92.83 Favored 'General case' 0 C--N 1.331 -0.228 0 N-CA-C 109.774 -0.454 . . . . 0.0 109.774 176.053 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 69.1 mt -65.42 -47.08 77.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.745 -0.661 . . . . 0.0 110.565 179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.441 HD22 ' HG3' ' A' ' 21' ' ' PRO . 84.8 mt -59.74 -39.99 86.59 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.734 179.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 92.6 m -67.63 -26.79 66.41 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.536 -0.756 . . . . 0.0 110.851 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 3.0 ttp85 -77.3 -43.75 32.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.96 0.409 . . . . 0.0 110.123 176.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 150.5 -148.63 20.03 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 121.141 -0.552 . . . . 0.0 111.866 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.607 ' CD1' ' HB ' ' A' ' 72' ' ' VAL . 33.5 m0 68.97 154.28 0.11 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-O 121.491 0.662 . . . . 0.0 112.246 -179.808 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -91.19 123.85 63.18 Favored Pre-proline 0 N--CA 1.45 -0.461 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.76 -178.126 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.441 ' HG3' HD22 ' A' ' 15' ' ' LEU . 5.1 Cg_exo -79.05 111.53 2.94 Favored 'Trans proline' 0 N--CA 1.46 -0.464 0 C-N-CA 122.827 2.351 . . . . 0.0 111.302 175.759 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 27.2 m -105.72 156.1 6.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.192 0.52 . . . . 0.0 111.616 -176.417 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.63 ' O ' ' HB ' ' A' ' 27' ' ' VAL . 33.8 mt-10 -105.54 -178.83 3.77 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.66 -0.7 . . . . 0.0 109.464 -179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -79.29 -9.67 59.63 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.195 0.521 . . . . 0.0 110.046 174.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 31.8 t -99.67 -59.13 1.78 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.624 -0.716 . . . . 0.0 111.008 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.2 t -82.64 6.31 18.2 Favored 'General case' 0 C--N 1.328 -0.365 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -173.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.63 ' HB ' ' O ' ' A' ' 23' ' ' GLU . 7.5 p -63.38 -51.59 68.87 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 N-CA-C 111.796 0.295 . . . . 0.0 111.796 -175.096 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -74.54 -17.85 60.68 Favored 'General case' 0 C--O 1.234 0.263 0 O-C-N 122.207 -0.308 . . . . 0.0 111.239 -178.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . 0.599 ' O ' ' HG3' ' A' ' 32' ' ' LYS . 32.8 t70 -75.28 -37.06 61.09 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.257 0.551 . . . . 0.0 109.668 175.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -66.48 -47.53 72.76 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.473 -0.785 . . . . 0.0 109.748 174.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.453 HG13 ' O ' ' A' ' 27' ' ' VAL . 94.7 mt -58.42 -44.32 88.46 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.151 0 CA-C-N 115.607 -0.724 . . . . 0.0 111.864 -178.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.599 ' HG3' ' O ' ' A' ' 29' ' ' ASP . 0.0 OUTLIER -62.75 -27.47 69.3 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -177.074 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 22.5 ttt180 -81.5 -46.27 14.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.246 0.546 . . . . 0.0 111.049 -176.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.565 ' HB ' ' OE1' ' A' ' 71' ' ' GLN . 35.4 m -78.07 -40.43 26.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.298 -177.218 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 84.57 -57.81 5.01 Favored Glycine 0 N--CA 1.446 -0.685 0 N-CA-C 111.85 -0.5 . . . . 0.0 111.85 178.564 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 70' ' ' TRP . 46.5 m-20 -113.27 107.88 16.5 Favored 'General case' 0 C--N 1.316 -0.85 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 -177.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -160.97 167.08 35.86 Favored Glycine 0 N--CA 1.444 -0.83 0 C-N-CA 119.707 -1.235 . . . . 0.0 112.874 -175.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.497 ' HA ' ' O ' ' A' ' 96' ' ' LEU . 7.9 m -132.76 127.98 56.57 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.684 0 CA-C-O 121.031 0.443 . . . . 0.0 110.632 179.398 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.596 ' HB ' ' HB2' ' A' ' 96' ' ' LEU . 4.1 mp -96.83 116.02 37.9 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.873 178.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.47 HD23 HG23 ' A' ' 95' ' ' THR . 53.7 mt -83.51 118.44 23.78 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 174.848 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 77.7 mt -68.31 164.19 21.3 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 173.481 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 38.9 t -55.98 -22.56 27.33 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.784 -176.026 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.695 ' HA ' ' HB3' ' A' ' 93' ' ' PRO . 19.9 m 59.81 34.13 21.8 Favored 'General case' 0 C--O 1.233 0.226 0 CA-C-O 121.006 0.431 . . . . 0.0 110.806 177.137 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.462 ' HA ' ' HD3' ' A' ' 45' ' ' PRO . 9.5 t70 -53.14 129.04 49.5 Favored Pre-proline 0 C--O 1.235 0.328 0 CA-C-N 115.066 -0.97 . . . . 0.0 110.666 179.452 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.462 ' HD3' ' HA ' ' A' ' 44' ' ' ASP . 1.4 Cg_endo -80.61 65.88 8.87 Favored 'Trans proline' 0 N--CA 1.454 -0.811 0 C-N-CA 122.896 2.397 . . . . 0.0 112.503 -177.75 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -61.79 -49.81 74.85 Favored 'General case' 0 C--N 1.329 -0.294 0 N-CA-C 109.635 -0.505 . . . . 0.0 109.635 175.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 36.4 ptt180 -104.01 132.85 49.85 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.003 175.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . . . . . . . . . 30.4 m 57.24 75.62 0.55 Allowed Pre-proline 0 CA--C 1.537 0.468 0 CA-C-O 121.409 0.623 . . . . 0.0 111.456 -178.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 1.8 Cg_endo -86.65 53.58 2.94 Favored 'Trans proline' 0 N--CA 1.459 -0.558 0 C-N-CA 123.76 2.973 . . . . 0.0 111.896 178.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.2 mm-40 -90.23 -61.94 1.57 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.018 -178.228 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.42 ' O ' ' HB3' ' A' ' 52' ' ' SER . 44.2 t -78.17 -25.8 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.403 -177.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.43 ' O ' ' HG3' ' A' ' 45' ' ' PRO . 33.0 t 71.53 -80.93 0.04 OUTLIER 'General case' 0 CA--C 1.529 0.145 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.271 179.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -130.81 115.88 17.2 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-O 121.179 0.514 . . . . 0.0 111.045 -174.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -154.39 75.48 5.82 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.169 175.302 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -96.17 15.34 0.92 Allowed 'Trans proline' 0 N--CA 1.454 -0.8 0 C-N-CA 123.286 2.657 . . . . 0.0 112.163 177.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.457 ' O ' ' HB2' ' A' ' 57' ' ' MET . 26.7 m -85.79 166.75 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.774 177.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.457 ' HB2' ' O ' ' A' ' 56' ' ' VAL . 24.2 mmt 72.67 -3.07 2.46 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 123.627 0.579 . . . . 0.0 111.848 -178.542 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 9.9 tp -80.66 -16.28 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.209 0.528 . . . . 0.0 110.055 175.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.19 -28.4 66.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.61 -0.723 . . . . 0.0 112.716 -173.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.491 ' HA ' ' HG2' ' A' ' 63' ' ' ARG . 0.1 OUTLIER -71.28 -29.17 64.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.706 0.288 . . . . 0.0 111.304 -177.22 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.579 HD23 ' CH2' ' A' ' 113' ' ' TRP . 2.9 tm? -53.86 -48.27 70.19 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.837 0.827 . . . . 0.0 109.907 176.669 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -58.7 -33.98 70.8 Favored 'General case' 0 C--N 1.319 -0.72 0 CA-C-N 114.391 -1.277 . . . . 0.0 112.207 -178.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.491 ' HG2' ' HA ' ' A' ' 60' ' ' GLU . 10.7 ptp180 -89.7 15.62 9.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.056 0.455 . . . . 0.0 111.304 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.35 -8.21 53.68 Favored 'General case' 0 N--CA 1.451 -0.386 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 169.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 24.7 m-85 -124.1 78.3 59.37 Favored Pre-proline 0 N--CA 1.452 -0.332 0 CA-C-N 114.721 -1.127 . . . . 0.0 110.709 -178.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -81.31 41.33 1.12 Allowed 'Trans proline' 0 N--CA 1.461 -0.438 0 C-N-CA 122.156 1.904 . . . . 0.0 111.254 178.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . 0.431 ' HB3' ' HB3' ' A' ' 127' ' ' PRO . 81.2 mt-30 -110.12 -24.41 10.75 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.058 -0.974 . . . . 0.0 109.433 -178.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . 0.538 ' CE1' ' HA ' ' A' ' 127' ' ' PRO . 1.9 m-85 -119.49 -179.67 3.94 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.729 173.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -125.64 93.66 3.91 Favored 'General case' 0 C--N 1.32 -0.677 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 170.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . 0.448 ' CZ2' ' CD2' ' A' ' 68' ' ' PHE . 19.1 m95 -79.91 139.39 37.11 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.654 -0.703 . . . . 0.0 112.019 -168.201 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . 0.565 ' OE1' ' HB ' ' A' ' 34' ' ' VAL . 27.6 mp0 -111.48 128.19 55.93 Favored 'General case' 0 C--N 1.319 -0.729 0 CA-C-N 115.521 -0.763 . . . . 0.0 109.031 169.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.607 ' HB ' ' CD1' ' A' ' 19' ' ' TRP . 22.5 t -99.5 134.9 37.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.717 0 CA-C-O 120.898 0.38 . . . . 0.0 110.412 -178.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -125.75 161.57 27.04 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.823 -178.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . . . . . . . . . 14.7 m -134.53 165.61 30.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.618 179.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -138.93 148.55 43.7 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.041 -178.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -62.65 174.27 1.06 Allowed 'General case' 0 N--CA 1.466 0.326 0 O-C-N 123.545 0.528 . . . . 0.0 111.501 -179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 87.7 mt -57.42 -40.87 79.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.061 175.296 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -77.29 -48.14 18.22 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.613 178.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -61.18 -32.07 71.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.771 -0.65 . . . . 0.0 112.336 -175.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 6.4 p -65.92 -34.43 78.11 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 112.13 0.418 . . . . 0.0 112.13 -176.657 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -73.97 -41.88 61.31 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.465 -0.494 . . . . 0.0 110.015 176.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -61.62 -46.1 91.24 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.898 178.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 68.2 mt -67.5 -35.77 74.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.411 176.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.8 -35.93 90.95 Favored Glycine 0 N--CA 1.448 -0.527 0 C-N-CA 121.001 -0.618 . . . . 0.0 111.843 175.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -76.77 -37.34 56.06 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.098 0.475 . . . . 0.0 110.546 177.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 23.5 tpt180 -54.61 -42.54 71.28 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.219 -0.901 . . . . 0.0 111.641 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 41.1 m-85 -102.1 -0.92 32.61 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.662 0.268 . . . . 0.0 110.91 -179.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 58.32 54.73 5.48 Favored 'General case' 0 N--CA 1.465 0.296 0 CA-C-O 121.448 0.642 . . . . 0.0 110.802 -178.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.403 HG22 HD11 ' A' ' 96' ' ' LEU . 21.8 t -76.25 -15.09 15.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 CA-C-N 115.269 -0.878 . . . . 0.0 110.739 -177.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.431 ' O ' ' HB2' ' A' ' 91' ' ' ARG . 14.5 tpp85 72.15 21.79 3.83 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.332 179.652 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.431 ' HB2' ' O ' ' A' ' 90' ' ' ARG . 86.6 mtt180 72.01 -168.1 0.14 Allowed 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 115.156 -0.929 . . . . 0.0 111.959 177.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.415 ' H ' ' HB3' ' A' ' 91' ' ' ARG . 97.5 m-85 73.32 145.34 0.11 Allowed Pre-proline 0 N--CA 1.468 0.453 0 CA-C-N 115.252 -0.885 . . . . 0.0 111.111 -176.223 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.695 ' HB3' ' HA ' ' A' ' 43' ' ' SER . 28.7 Cg_endo -63.21 124.85 14.59 Favored 'Trans proline' 0 C--N 1.345 0.344 0 C-N-CA 122.647 2.231 . . . . 0.0 112.61 179.895 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -162.01 153.47 18.45 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.16 -179.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.47 HG23 HD23 ' A' ' 40' ' ' LEU . 15.9 m -90.85 134.05 34.75 Favored 'General case' 0 C--N 1.314 -0.976 0 CA-C-N 115.797 -0.638 . . . . 0.0 109.344 174.448 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.596 ' HB2' ' HB ' ' A' ' 39' ' ' ILE . 3.8 mm? -90.46 124.14 34.73 Favored 'General case' 0 C--N 1.319 -0.76 0 C-N-CA 120.244 -0.582 . . . . 0.0 109.535 177.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 42.3 t -99.03 116.01 41.01 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.474 -174.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -120.74 136.13 54.96 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.779 177.827 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 43.2 p -140.15 133.47 29.85 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 179.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER 57.16 14.37 2.0 Favored 'General case' 0 N--CA 1.47 0.574 0 C-N-CA 123.811 0.844 . . . . 0.0 112.433 -179.116 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 95.75 -8.08 68.18 Favored Glycine 0 N--CA 1.447 -0.624 0 C-N-CA 120.968 -0.634 . . . . 0.0 112.285 -177.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 48.1 mttp -97.57 144.8 26.89 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.997 0.427 . . . . 0.0 111.76 179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 62.4 tp -76.57 131.14 38.76 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.377 178.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.544 ' HB3' ' CG2' ' A' ' 123' ' ' ILE . 1.9 mmp_? -100.27 -34.85 9.83 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.697 176.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 150.6 -161.28 28.93 Favored Glycine 0 N--CA 1.446 -0.637 0 C-N-CA 120.52 -0.847 . . . . 0.0 112.295 178.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -117.97 138.15 52.37 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.438 ' HB3' ' HB ' ' A' ' 95' ' ' THR . 44.4 tp -93.11 80.79 4.51 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.142 0.496 . . . . 0.0 110.047 -176.414 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.2 p -108.2 64.23 0.62 Allowed 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.417 -0.81 . . . . 0.0 109.535 175.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -75.3 113.29 3.9 Favored Glycine 0 N--CA 1.444 -0.791 0 CA-C-N 115.273 -0.876 . . . . 0.0 112.463 -177.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . . . . . . . . . 55.4 mt -82.59 -27.07 8.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-O 121.494 0.664 . . . . 0.0 109.591 177.216 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.693 ' HB3' ' HG3' ' A' ' 115' ' ' GLU . 17.3 m170 -85.47 126.65 66.14 Favored Pre-proline 0 C--N 1.325 -0.486 0 CA-C-N 115.508 -0.769 . . . . 0.0 109.733 174.601 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 111' ' ' HIS . 17.0 Cg_exo -69.01 -166.25 0.16 Allowed 'Trans proline' 0 C--O 1.238 0.505 0 C-N-CA 123.574 2.849 . . . . 0.0 113.818 -174.768 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.579 ' CH2' HD23 ' A' ' 61' ' ' LEU . 9.9 t-105 -70.21 99.84 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.657 -0.701 . . . . 0.0 111.154 -174.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 164.05 -28.65 0.0 OUTLIER 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 107.249 -1.389 . . . . 0.0 107.249 -175.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.693 ' HG3' ' HB3' ' A' ' 111' ' ' HIS . 9.4 mm-40 -110.22 -32.55 6.94 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 113.793 -1.549 . . . . 0.0 110.404 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . . . . . . . . . 6.3 tt -57.9 -38.44 75.84 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 115.025 -0.989 . . . . 0.0 111.168 -176.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 89.0 mt -54.44 -54.91 34.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.008 -178.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 48.1 m -65.2 -43.33 91.91 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.203 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -61.4 -49.74 75.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.456 -177.038 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . 0.494 ' O ' HG22 ' A' ' 124' ' ' VAL . 14.5 tpt -64.48 -46.87 81.16 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 115.871 -0.604 . . . . 0.0 111.094 -178.257 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -64.03 -30.34 71.42 Favored 'General case' 0 N--CA 1.454 -0.231 0 CA-C-O 121.052 0.453 . . . . 0.0 111.303 -178.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 19.1 t -59.47 -31.03 68.96 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.877 175.076 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.544 ' CG2' ' HB3' ' A' ' 104' ' ' ARG . 50.0 mt -91.49 -48.79 13.71 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.265 -177.514 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 120' ' ' MET . 28.4 m -89.37 35.9 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 121.089 0.471 . . . . 0.0 111.378 -177.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -56.85 -40.46 76.15 Favored 'General case' 0 N--CA 1.466 0.368 0 CA-C-N 115.749 -0.659 . . . . 0.0 112.072 -176.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . . . . . . . . . 5.9 t -94.0 122.98 60.68 Favored Pre-proline 0 C--N 1.327 -0.399 0 CA-C-O 121.015 0.436 . . . . 0.0 111.285 -178.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.538 ' HA ' ' CE1' ' A' ' 68' ' ' PHE . 87.0 Cg_endo -80.2 172.06 14.27 Favored 'Trans proline' 0 N--CA 1.462 -0.336 0 C-N-CA 122.822 2.348 . . . . 0.0 112.463 178.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . -76.36 -31.56 58.12 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.099 -0.501 . . . . 0.0 109.943 176.519 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -149.37 -91.41 0.07 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.775 175.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -136.49 -88.26 0.3 Allowed 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 173.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 16.7 mp0 -127.6 115.95 19.58 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 171.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 24.9 m -71.45 -45.58 62.24 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.197 -176.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 7.3 p -111.81 116.18 51.85 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-O 121.312 0.577 . . . . 0.0 110.796 -176.659 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . . . . . . . . . 24.9 mp0 -88.11 -32.19 18.82 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.024 -0.535 . . . . 0.0 111.454 -175.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.832 ' H ' HD23 ' A' ' 135' ' ' LEU . 2.0 pt? -84.34 9.11 13.97 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.959 0.409 . . . . 0.0 111.403 -175.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . . . . . . . . . 16.0 tp10 -123.45 83.19 2.1 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.269 0.557 . . . . 0.0 109.885 176.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 1.2 t-80 -141.54 21.91 2.18 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.691 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 29.4 m170 -103.96 162.02 13.48 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.48 -178.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 85.1 m-70 -127.01 156.27 41.89 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 120.816 0.341 . . . . 0.0 110.466 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 59.0 m170 -107.0 173.28 6.39 Favored 'General case' 0 C--N 1.32 -0.682 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 178.586 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -103.12 -59.55 1.69 Allowed 'General case' 0 C--N 1.319 -0.74 0 N-CA-C 108.585 -0.895 . . . . 0.0 108.585 176.72 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 37.9 t60 . . . . . 0 C--O 1.25 1.129 0 CA-C-O 117.537 -1.221 . . . . 0.0 107.782 175.211 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.2 mtt . . . . . 0 N--CA 1.479 1.022 0 N-CA-C 110.191 -0.3 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.06 87.23 2.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.785 0.326 . . . . 0.0 111.149 -177.717 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -169.24 116.33 0.61 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.352 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -137.44 151.77 48.87 Favored 'General case' 0 C--N 1.324 -0.532 0 N-CA-C 109.575 -0.528 . . . . 0.0 109.575 173.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 16.5 p 65.78 157.69 0.13 Allowed Pre-proline 0 N--CA 1.475 0.818 0 C-N-CA 124.299 1.04 . . . . 0.0 111.139 -173.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -78.69 5.72 5.4 Favored 'Trans proline' 0 N--CA 1.462 -0.38 0 C-N-CA 122.777 2.318 . . . . 0.0 112.255 177.423 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 49.73 55.74 8.93 Favored 'General case' 0 C--O 1.235 0.327 0 O-C-N 123.425 0.453 . . . . 0.0 111.445 -179.664 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.3 t 65.38 -160.02 0.28 Allowed 'General case' 0 CA--C 1.533 0.292 0 CA-C-N 115.503 -0.771 . . . . 0.0 110.469 179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.9 -34.41 39.06 Favored 'General case' 0 C--N 1.324 -0.539 0 N-CA-C 111.548 0.203 . . . . 0.0 111.548 -176.174 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.403 ' O ' ' HG ' ' A' ' 14' ' ' LEU . 6.3 tt -52.93 -51.58 60.84 Favored 'General case' 0 CA--C 1.533 0.291 0 O-C-N 123.408 0.442 . . . . 0.0 111.595 -174.515 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 59.1 t-105 -74.31 -48.23 29.68 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.716 0.293 . . . . 0.0 110.786 -178.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -47.22 -44.3 22.38 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 115.769 -0.651 . . . . 0.0 111.79 175.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -59.8 -38.39 81.81 Favored 'General case' 0 N--CA 1.463 0.186 0 CA-C-O 120.723 0.297 . . . . 0.0 111.582 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.64 HD13 HG11 ' A' ' 74' ' ' VAL . 53.9 mt -66.4 -41.01 89.95 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.922 0.392 . . . . 0.0 110.142 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.6 mt -62.28 -34.65 76.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.782 -0.644 . . . . 0.0 110.709 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 21.1 m -61.36 -27.44 68.52 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 115.796 -0.638 . . . . 0.0 111.467 -177.316 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ARG . . . . . . . . . . . . . 13.6 mtp180 -88.4 4.37 46.56 Favored 'General case' 0 C--O 1.234 0.241 0 CA-C-O 120.765 0.316 . . . . 0.0 111.634 -177.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 83.61 25.26 47.27 Favored Glycine 0 N--CA 1.453 -0.233 0 C-N-CA 120.887 -0.673 . . . . 0.0 113.24 175.164 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' TRP . . . . . 0.451 ' HE3' HG21 ' A' ' 74' ' ' VAL . 53.3 m0 -84.94 141.74 30.15 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-O 121.11 0.481 . . . . 0.0 111.148 177.177 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -89.22 136.14 30.56 Favored Pre-proline 0 N--CA 1.447 -0.599 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.872 -177.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' A' ' 74' ' ' VAL . 73.3 Cg_endo -82.97 118.43 2.71 Favored 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.399 2.066 . . . . 0.0 111.637 173.757 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.466 HG13 ' HB1' ' A' ' 73' ' ' ALA . 12.9 m -104.45 155.35 6.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.898 0.38 . . . . 0.0 111.105 -178.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . 0.588 ' HA ' ' HG2' ' A' ' 79' ' ' GLN . 49.5 mt-10 -125.23 172.38 9.59 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.868 -0.605 . . . . 0.0 110.662 -177.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -69.58 -23.9 63.61 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -173.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 24.1 t -94.35 -14.12 25.69 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 120.713 0.292 . . . . 0.0 111.653 -176.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.53 HG22 ' HB2' ' A' ' 23' ' ' GLU . 8.4 t -121.08 -8.36 9.31 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.555 -0.458 . . . . 0.0 111.896 -176.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.5 ' O ' HG13 ' A' ' 31' ' ' ILE . 7.7 p -59.11 -46.02 92.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 C-N-CA 121.282 -0.167 . . . . 0.0 111.4 -176.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -70.46 -30.36 67.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.783 0.325 . . . . 0.0 110.607 -177.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASP . . . . . . . . . . . . . 25.2 t70 -73.95 -36.73 64.65 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-O 121.181 0.515 . . . . 0.0 110.209 179.266 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -65.95 -44.04 86.21 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.717 -0.674 . . . . 0.0 109.932 175.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 27' ' ' VAL . 87.9 mt -59.4 -40.41 81.54 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.169 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.27 176.263 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -61.15 -31.24 70.96 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.787 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . 0.435 HH11 ' HD3' ' A' ' 33' ' ' ARG . 2.2 tmm_? -79.89 -44.51 20.3 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.845 -176.783 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.2 m -85.91 -41.59 15.39 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-N 116.23 -0.441 . . . . 0.0 112.182 -175.403 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.479 ' HA2' ' HA2' ' A' ' 101' ' ' GLY . . . 82.37 -52.51 4.67 Favored Glycine 0 N--CA 1.444 -0.813 0 C-N-CA 121.06 -0.591 . . . . 0.0 111.727 -176.4 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -126.11 133.66 51.57 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-O 120.825 0.345 . . . . 0.0 110.093 -176.135 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 165.4 -171.68 40.74 Favored Glycine 0 N--CA 1.449 -0.458 0 C-N-CA 121.014 -0.612 . . . . 0.0 112.067 -178.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 14.3 m -136.06 137.19 48.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-O 121.232 0.539 . . . . 0.0 111.356 -178.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.44 HD13 ' CD2' ' A' ' 98' ' ' PHE . 2.5 mp -106.32 125.35 62.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-N 115.738 -0.664 . . . . 0.0 109.224 175.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.502 HD21 HG12 ' A' ' 58' ' ' ILE . 71.6 mt -98.1 123.48 42.16 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.49 -178.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 83.2 mt -80.63 159.91 25.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.98 0.419 . . . . 0.0 110.787 178.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 26.6 t -64.69 134.89 55.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.341 -179.64 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.428 ' OG ' ' HD3' ' A' ' 55' ' ' PRO . 19.7 m -99.4 19.53 15.41 Favored 'General case' 0 C--N 1.32 -0.714 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.876 -178.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.565 ' HB3' ' HD3' ' A' ' 45' ' ' PRO . 33.9 t70 -58.15 -52.67 72.86 Favored Pre-proline 0 CA--C 1.539 0.534 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.338 177.717 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' PRO . . . . . 0.565 ' HD3' ' HB3' ' A' ' 44' ' ' ASP . 87.4 Cg_endo -82.36 52.58 4.17 Favored 'Trans proline' 0 C--N 1.354 0.822 0 C-N-CA 121.998 1.799 . . . . 0.0 112.376 177.334 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.47 ' HD2' HD21 ' A' ' 54' ' ' ASN . 68.1 ttt180 -77.08 98.78 5.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.15 0.5 . . . . 0.0 111.359 -177.656 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -118.69 24.02 11.12 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 121.624 0.726 . . . . 0.0 109.072 171.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' THR . . . . . 0.477 ' HA ' ' HD3' ' A' ' 49' ' ' PRO . 2.2 m -111.46 108.94 56.4 Favored Pre-proline 0 C--N 1.321 -0.649 0 CA-C-N 114.914 -1.039 . . . . 0.0 110.471 -175.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.477 ' HD3' ' HA ' ' A' ' 48' ' ' THR . 55.7 Cg_endo -98.54 131.8 0.25 Allowed 'Trans proline' 0 N--CA 1.458 -0.607 0 C-N-CA 123.482 2.788 . . . . 0.0 114.986 -174.846 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 26.8 mt-10 58.56 41.16 22.85 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-N 115.067 -0.97 . . . . 0.0 113.617 167.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' VAL . . . . . 0.468 ' HB ' ' O ' ' A' ' 109' ' ' GLY . 21.2 m -136.7 -170.73 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.711 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 173.72 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 13.9 m -80.55 85.15 6.01 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 120.688 0.28 . . . . 0.0 110.937 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.524 ' O ' ' HB2' ' A' ' 54' ' ' ASN . 1.2 p-10 -137.41 -177.78 4.93 Favored 'General case' 0 C--N 1.327 -0.402 0 N-CA-C 109.337 -0.616 . . . . 0.0 109.337 175.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.524 ' HB2' ' O ' ' A' ' 53' ' ' ASP . 1.0 OUTLIER 75.23 157.48 0.16 Allowed Pre-proline 0 N--CA 1.473 0.724 0 O-C-N 123.704 0.628 . . . . 0.0 111.114 -175.325 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.487 ' HA ' HD13 ' A' ' 40' ' ' LEU . 6.8 Cg_exo -75.43 -18.87 17.49 Favored 'Trans proline' 0 C--N 1.345 0.375 0 C-N-CA 122.768 2.312 . . . . 0.0 112.032 177.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.504 HG22 ' HB3' ' A' ' 54' ' ' ASN . 27.6 m -79.22 159.79 4.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.661 -179.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' MET . . . . . 0.436 ' HB3' ' O ' ' A' ' 56' ' ' VAL . 56.8 ttp 81.47 -13.27 0.91 Allowed 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 123.888 0.875 . . . . 0.0 110.62 -179.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.502 HG12 HD21 ' A' ' 40' ' ' LEU . 1.7 mp -71.28 -31.15 42.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.46 176.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.73 -55.27 32.03 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.866 0.365 . . . . 0.0 111.042 179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.727 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 1.6 pm0 -63.45 -29.08 70.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.645 177.219 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.43 HD21 ' CD2' ' A' ' 116' ' ' LEU . 2.1 tm? -58.41 -45.15 88.96 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.323 0.582 . . . . 0.0 110.909 178.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 58' ' ' ILE . 90.9 mt -48.94 -32.15 8.56 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 114.819 -1.082 . . . . 0.0 113.676 -174.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.727 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 14.7 ptt180 -74.39 -0.95 18.93 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 111.822 0.305 . . . . 0.0 111.822 -175.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -81.33 -30.52 33.82 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.914 -0.402 . . . . 0.0 109.914 178.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -118.3 88.31 32.59 Favored Pre-proline 0 C--N 1.33 -0.249 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.225 -174.667 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 98.2 Cg_endo -88.08 42.87 0.76 Allowed 'Trans proline' 0 N--CA 1.458 -0.61 0 C-N-CA 122.697 2.265 . . . . 0.0 111.12 176.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -85.39 -41.56 15.33 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 114.994 -1.003 . . . . 0.0 110.098 -177.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -154.02 -178.73 7.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.195 -0.911 . . . . 0.0 109.632 -178.551 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -88.7 107.2 18.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.766 0.317 . . . . 0.0 110.538 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -82.95 139.08 33.55 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-O 121.289 0.566 . . . . 0.0 110.596 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 8.4 mt-30 -121.88 139.94 53.02 Favored 'General case' 0 C--N 1.315 -0.908 0 CA-C-N 115.406 -0.816 . . . . 0.0 109.153 177.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 25.5 t -112.86 132.17 62.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-O 120.981 0.42 . . . . 0.0 110.958 -173.578 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.466 ' HB1' HG13 ' A' ' 22' ' ' VAL . . . -133.86 146.6 50.74 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.908 -0.587 . . . . 0.0 109.99 177.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' VAL . . . . . 0.64 HG11 HD13 ' A' ' 14' ' ' LEU . 10.2 t -131.55 160.18 42.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.893 0.378 . . . . 0.0 110.886 -174.52 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.508 ' HB1' ' HB2' ' A' ' 79' ' ' GLN . . . -121.35 143.07 49.4 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.732 174.531 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -68.22 -65.95 0.63 Allowed 'General case' 0 C--O 1.235 0.295 0 CA-C-O 120.852 0.358 . . . . 0.0 111.469 -176.353 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.586 HD12 ' N ' ' A' ' 78' ' ' GLU . 1.5 pp -165.74 -32.54 0.03 OUTLIER 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.222 177.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLU . . . . . 0.586 ' N ' HD12 ' A' ' 77' ' ' LEU . 8.8 tp10 -67.22 -53.09 33.34 Favored 'General case' 0 N--CA 1.453 -0.31 0 CA-C-O 121.481 0.657 . . . . 0.0 110.619 179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.588 ' HG2' ' HA ' ' A' ' 23' ' ' GLU . 10.0 mp0 -72.68 -37.36 67.92 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.536 -0.757 . . . . 0.0 110.432 -174.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 12.2 p -61.14 -37.0 81.28 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.333 -178.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLU . . . . . . . . . . . . . 51.4 tp10 -61.92 -42.29 98.93 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.223 0.535 . . . . 0.0 109.992 177.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . -73.29 -49.31 28.3 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.011 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 81.7 mt -60.36 -47.15 93.62 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.206 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.908 -176.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . . . . . . . . . . . -60.29 -45.82 95.41 Favored Glycine 0 C--N 1.33 0.226 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.118 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 27.9 t70 -71.34 -32.04 68.09 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 120.934 0.397 . . . . 0.0 110.715 179.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 19.8 tpt180 -60.38 -49.06 79.08 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.097 177.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PHE . . . . . . . . . . . . . 82.1 m-85 -87.25 -0.46 56.76 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.131 -179.312 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 10.0 m120 64.32 27.78 13.76 Favored 'General case' 0 N--CA 1.468 0.447 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.134 175.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.432 HG21 HD11 ' A' ' 96' ' ' LEU . 47.2 t -87.89 78.38 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.132 0.492 . . . . 0.0 111.736 -172.728 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 25.6 mmt180 51.92 -151.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.248 -0.887 . . . . 0.0 111.999 172.52 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ARG . . . . . 0.497 ' HD3' ' HA ' ' A' ' 91' ' ' ARG . 11.5 mmt180 -143.92 35.1 1.25 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.782 0.325 . . . . 0.0 111.353 179.523 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' PHE . . . . . 0.518 ' HB2' ' HD2' ' A' ' 93' ' ' PRO . 54.6 p90 -138.42 159.7 66.72 Favored Pre-proline 0 C--N 1.325 -0.462 0 N-CA-C 109.859 -0.423 . . . . 0.0 109.859 176.833 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . 0.518 ' HD2' ' HB2' ' A' ' 92' ' ' PHE . 11.7 Cg_endo -55.21 126.21 21.78 Favored 'Trans proline' 0 C--N 1.349 0.571 0 C-N-CA 123.034 2.489 . . . . 0.0 112.651 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -152.01 136.25 16.67 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.203 -177.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.474 HG23 HD23 ' A' ' 40' ' ' LEU . 49.4 m -79.0 130.07 35.13 Favored 'General case' 0 C--N 1.317 -0.827 0 N-CA-C 109.705 -0.48 . . . . 0.0 109.705 174.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.432 HD11 HG21 ' A' ' 89' ' ' VAL . 3.3 mm? -91.52 124.42 35.67 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 109.629 -0.508 . . . . 0.0 109.629 178.087 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' VAL . . . . . . . . . . . . . 28.9 t -97.72 105.87 17.82 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.324 -176.503 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' PHE . . . . . 0.51 ' CE1' ' HB2' ' A' ' 103' ' ' LEU . 30.7 m-85 -106.16 132.0 52.74 Favored 'General case' 0 N--CA 1.444 -0.734 0 CA-C-N 115.445 -0.798 . . . . 0.0 110.779 179.493 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 1.4 p -155.28 148.23 24.53 Favored 'General case' 0 C--N 1.315 -0.925 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.204 -178.329 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.7 t70 66.14 19.75 11.13 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.366 0.603 . . . . 0.0 109.928 179.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . 0.479 ' HA2' ' HA2' ' A' ' 35' ' ' GLY . . . 77.41 4.46 84.36 Favored Glycine 0 C--N 1.333 0.38 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.544 -176.16 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LYS . . . . . . . . . . . . . 40.2 mttt -128.71 166.21 19.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.035 0.445 . . . . 0.0 111.289 -173.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.51 ' HB2' ' CE1' ' A' ' 98' ' ' PHE . 65.6 tp -91.01 133.52 35.23 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.155 178.389 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -102.14 -32.26 10.2 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.858 0.361 . . . . 0.0 110.679 176.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 159.63 -171.81 36.11 Favored Glycine 0 N--CA 1.446 -0.667 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.989 178.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -107.53 156.43 19.01 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-O 120.711 0.291 . . . . 0.0 110.272 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.514 HD11 ' HG ' ' A' ' 116' ' ' LEU . 31.3 tp -94.5 84.84 4.39 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-O 121.216 0.531 . . . . 0.0 110.743 -177.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 17.0 m -96.15 76.88 3.06 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 108.924 -0.769 . . . . 0.0 108.924 171.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.468 ' O ' ' HB ' ' A' ' 51' ' ' VAL . . . -85.68 115.22 4.13 Favored Glycine 0 N--CA 1.444 -0.78 0 CA-C-N 115.568 -0.742 . . . . 0.0 112.796 -173.218 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ILE . . . . . 0.454 ' O ' ' HB2' ' A' ' 111' ' ' HIS . 19.9 pt -73.64 138.55 21.03 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 N-CA-C 109.532 -0.544 . . . . 0.0 109.532 173.647 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . 0.454 ' HB2' ' O ' ' A' ' 110' ' ' ILE . 94.9 m-70 73.05 145.43 0.11 Allowed Pre-proline 0 N--CA 1.469 0.492 0 O-C-N 123.842 0.714 . . . . 0.0 109.994 -171.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' PRO . . . . . . . . . . . . . 9.7 Cg_endo -54.16 -50.09 14.79 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.978 2.452 . . . . 0.0 112.164 179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 4.8 t-105 -151.46 116.24 5.18 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.232 176.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ALA . . . . . . . . . . . . . . . 174.62 -75.55 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.305 -0.861 . . . . 0.0 110.149 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.9 mm-40 -70.42 -25.31 63.15 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.425 -0.807 . . . . 0.0 110.866 -177.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' LEU . . . . . 0.514 ' HG ' HD11 ' A' ' 107' ' ' LEU . 6.8 tt -50.25 -42.11 51.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.036 176.558 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . . . . . . . . . 93.6 mt -57.88 -56.23 24.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.711 178.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.1 m -58.63 -47.64 83.69 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.38 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' LEU . . . . . 0.457 ' O ' HG13 ' A' ' 123' ' ' ILE . 4.3 mm? -66.06 -49.91 66.01 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.742 -176.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' MET . . . . . . . . . . . . . 43.6 mtp -70.58 -33.88 71.57 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.45 -0.5 . . . . 0.0 111.784 -176.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.516 ' HA ' HG22 ' A' ' 124' ' ' VAL . 66.6 mtt180 -64.99 -36.49 84.57 Favored 'General case' 0 N--CA 1.453 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.711 177.428 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.3 t -67.51 -35.85 79.9 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.928 -0.578 . . . . 0.0 109.779 175.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ILE . . . . . 0.457 HG13 ' O ' ' A' ' 119' ' ' LEU . 75.4 mt -66.51 -46.13 87.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.087 178.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' VAL . . . . . 0.516 HG22 ' HA ' ' A' ' 121' ' ' ARG . 33.5 m -81.4 35.09 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 121.253 0.549 . . . . 0.0 111.636 -177.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -83.32 5.64 22.59 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.525 177.715 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' THR . . . . . 0.429 ' HA ' ' HD3' ' A' ' 127' ' ' PRO . 21.2 p -51.23 124.84 23.64 Favored Pre-proline 0 C--O 1.234 0.282 0 CA-C-N 115.422 -0.808 . . . . 0.0 111.513 179.803 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' PRO . . . . . 0.429 ' HD3' ' HA ' ' A' ' 126' ' ' THR . 8.1 Cg_exo -72.89 171.68 16.95 Favored 'Trans proline' 0 N--CA 1.462 -0.351 0 C-N-CA 123.072 2.515 . . . . 0.0 112.26 179.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ALA . . . . . . . . . . . . . . . 68.79 14.67 8.97 Favored 'General case' 0 N--CA 1.464 0.265 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.719 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ALA . . . . . . . . . . . . . . . -85.78 89.1 7.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 121.12 0.486 . . . . 0.0 109.977 177.099 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' GLN . . . . . . . . . . . . . 63.6 tt0 -153.39 156.85 39.04 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.636 -0.711 . . . . 0.0 109.357 -176.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -79.5 25.68 0.32 Allowed 'General case' 0 C--O 1.235 0.301 0 CA-C-O 120.775 0.322 . . . . 0.0 111.774 -176.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' THR . . . . . . . . . . . . . 6.7 p -70.29 -40.71 74.12 Favored 'General case' 0 C--N 1.323 -0.573 0 N-CA-C 108.788 -0.819 . . . . 0.0 108.788 171.109 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' VAL . . . . . . . . . . . . . 27.1 m -101.78 178.16 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 114.931 -1.031 . . . . 0.0 108.263 168.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLN . . . . . 0.402 ' HG2' ' HG2' ' A' ' 136' ' ' GLU . 57.4 tt0 61.99 89.24 0.08 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.314 0.578 . . . . 0.0 110.942 178.735 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' LEU . . . . . 0.869 ' H ' HD23 ' A' ' 135' ' ' LEU . 1.0 OUTLIER -81.24 90.68 6.11 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 121.377 0.608 . . . . 0.0 109.371 176.095 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' GLU . . . . . 0.402 ' HG2' ' HG2' ' A' ' 134' ' ' GLN . 6.9 mm-40 -104.07 176.61 5.1 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 121.72 0.772 . . . . 0.0 113.042 -171.839 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -158.55 34.18 0.23 Allowed 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 114.122 -1.399 . . . . 0.0 108.748 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -115.85 92.43 3.9 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 114.977 -1.011 . . . . 0.0 110.625 -172.458 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -125.03 133.01 53.13 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 109.786 -0.45 . . . . 0.0 109.786 177.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' HIS . . . . . . . . . . . . . 35.6 m-70 -82.13 118.48 23.09 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-O 121.274 0.559 . . . . 0.0 112.194 -177.437 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' HIS . . . . . . . . . . . . . 8.6 p80 -114.11 1.26 14.54 Favored 'General case' 0 C--N 1.321 -0.632 0 N-CA-C 107.89 -1.152 . . . . 0.0 107.89 165.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' HIS . . . . . . . . . . . . . 70.7 m-70 . . . . . 0 C--O 1.243 0.716 0 CA-C-N 113.553 -1.658 . . . . 0.0 107.805 170.227 . . . . . . . . 0 0 . 1 stop_ save_