data_2hfi_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 2hfi _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 ' 6' ' ' LEU . . . . . . . . . . . . . 33.0 tp . . . . . 0 CA--C 1.531 0.212 0 CA-C-O 121.045 0.45 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.663 HD22 ' HG2' ' A' ' 114' ' ' LYS . 1.7 tm? -72.45 -47.92 45.08 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.59 -39.58 88.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.59 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.4 ' O ' ' HG3' ' A' ' 13' ' ' MET . 77.1 mtp -57.59 -44.03 85.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.425 175.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.448 ' O ' HG13 ' A' ' 14' ' ' ILE . 30.9 m -66.21 -49.39 67.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.618 178.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -52.99 -41.15 64.33 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 111.443 175.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.403 ' O ' HG23 ' A' ' 16' ' ' VAL . 52.7 tp60 -63.2 -46.17 88.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.687 177.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.4 ' HG3' ' O ' ' A' ' 9' ' ' MET . 90.1 mtp -63.11 -34.36 77.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.973 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 10' ' ' THR . 83.8 mt -61.98 -42.55 95.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.489 176.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -66.6 -43.07 85.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.634 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.56 ' HB ' ' HZ ' ' A' ' 82' ' ' PHE . 58.5 t -61.41 -42.4 93.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.561 0.219 . . . . 0.0 110.624 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.69 -51.38 70.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.792 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -65.48 -32.94 74.82 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.723 178.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -63.63 -45.68 89.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.583 0.23 . . . . 0.0 110.701 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.24 -41.08 96.99 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.845 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.408 ' HA ' ' HE2' ' A' ' 99' ' ' PHE . . . -65.39 -42.12 92.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.384 . . . . 0.0 110.586 177.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -66.16 -38.95 89.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.597 177.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -57.52 -47.47 81.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.433 -179.636 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -75.46 -33.7 60.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.949 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.305 -178.275 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.476 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 28.5 tptp . . . . . 0 CA--C 1.537 0.468 0 CA-C-O 119.818 -0.134 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.608 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 44.0 Cg_endo -69.41 -34.52 15.56 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.84 1.693 . . . . 0.0 112.278 177.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.29 -38.98 74.79 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.484 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.4 t -63.65 -45.91 96.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.425 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -60.94 -45.08 96.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.481 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.608 ' HG2' ' O ' ' A' ' 42' ' ' PRO . 5.6 mm-40 -55.62 -57.2 12.97 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -63.03 -39.0 93.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.56 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.32 -50.14 74.67 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.823 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.83 -40.51 88.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.151 176.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.8 tp -58.19 -53.78 54.46 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.926 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.607 ' HB1' ' HG2' ' A' ' 79' ' ' LYS . . . -62.16 -42.02 98.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.966 -178.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.73 99.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.994 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -71.79 -42.61 66.9 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.769 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 81.2 t90 -62.19 -47.62 83.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.773 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.47 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.77 -45.84 85.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.987 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.26 -44.35 60.02 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.734 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.99 99.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.721 0.296 . . . . 0.0 111.036 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.1 mt -61.15 -36.41 79.73 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.935 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -67.35 -46.85 72.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.924 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.62 -46.58 88.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.828 -177.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.803 ' HB ' ' HD3' ' A' ' 67' ' ' PRO . 40.5 pt -71.64 -17.61 19.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 111.19 -178.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -81.13 -40.73 23.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 175.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 77.3 t -68.49 -52.38 37.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.903 0.383 . . . . 0.0 110.319 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.455 ' HA ' ' HE ' ' A' ' 65' ' ' ARG . 0.3 OUTLIER -87.27 -106.14 0.07 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.774 178.682 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.692 ' HA ' ' HE ' ' A' ' 66' ' ' ARG . 0.1 OUTLIER 172.91 123.69 0.08 OUTLIER Pre-proline 0 C--N 1.332 -0.191 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.215 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.803 ' HD3' ' HB ' ' A' ' 62' ' ' ILE . 24.7 Cg_endo -63.37 103.05 0.35 Allowed 'Trans proline' 0 C--O 1.238 0.486 0 C-N-CA 122.326 2.018 . . . . 0.0 111.91 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -93.23 -53.26 4.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.792 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -96.89 -37.96 10.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.466 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.6 p -79.31 152.29 4.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.024 0.44 . . . . 0.0 110.524 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.433 ' HD2' ' HB3' ' A' ' 73' ' ' GLU . 7.2 t60 -107.67 132.37 53.4 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -58.15 -48.94 78.72 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.594 0.235 . . . . 0.0 111.261 -174.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.433 ' HB3' ' HD2' ' A' ' 71' ' ' HIS . 29.5 tt0 -52.54 -37.52 57.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.877 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -67.45 -37.41 82.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.13 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.445 HD13 HD12 ' A' ' 62' ' ' ILE . 71.4 mt -63.28 -45.31 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.116 0.484 . . . . 0.0 109.941 176.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -66.75 -34.93 78.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.426 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.76 -46.82 43.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.406 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 82' ' ' PHE . 40.7 t -57.97 -40.39 76.36 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.336 0 CA-C-N 116.827 -0.17 . . . . 0.0 111.381 -178.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.607 ' HG2' ' HB1' ' A' ' 51' ' ' ALA . 13.3 tmtt? -53.99 -49.06 69.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.322 0.582 . . . . 0.0 110.912 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -76.43 -45.91 29.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.441 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -64.21 -31.64 72.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.19 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.56 ' HZ ' ' HB ' ' A' ' 16' ' ' VAL . 44.1 t80 -64.56 -39.09 93.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.797 0.332 . . . . 0.0 110.347 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 65.4 mt -64.78 -42.96 94.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.643 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.38 -30.48 67.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.829 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.45 HD13 HG23 ' A' ' 102' ' ' ILE . 6.6 tt -60.31 -53.16 60.94 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 177.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.4 t -59.04 -43.07 88.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.456 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.486 ' O ' HG23 ' A' ' 91' ' ' VAL . 58.1 tp -58.9 -58.85 6.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.873 179.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.437 ' HB3' ' HB ' ' A' ' 94' ' ' ILE . 2.5 mp0 -62.75 -27.37 69.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.026 -176.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.4 t -61.72 -44.16 97.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.936 0.398 . . . . 0.0 110.932 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -90.43 -37.95 13.6 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -175.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 87' ' ' LEU . 21.2 m -81.29 -16.09 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.568 -177.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 57.3 m170 65.26 26.56 12.21 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 122.797 0.439 . . . . 0.0 111.543 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -76.26 -12.74 60.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.172 0.511 . . . . 0.0 110.362 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.742 HG12 ' HB2' ' A' ' 99' ' ' PHE . 10.1 tp -84.49 151.39 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.675 178.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -87.28 -76.96 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.135 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -153.76 -76.07 0.12 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.992 0.425 . . . . 0.0 112.047 -176.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 97' ' ' LYS . 72.6 mmtt -64.35 -36.75 85.14 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -167.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -68.64 -29.65 68.19 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.607 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.742 ' HB2' HG12 ' A' ' 94' ' ' ILE . 47.7 t80 -66.77 -46.79 74.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.159 0.504 . . . . 0.0 110.21 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -73.2 -29.01 62.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.204 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -68.12 -48.94 64.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.253 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 106' ' ' VAL . 80.6 mt -59.86 -46.72 93.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.219 176.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 38.4 m -57.97 -44.62 87.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 110.584 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -61.53 -45.13 95.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.585 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.7 m -63.47 -38.91 92.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.625 0.25 . . . . 0.0 111.081 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 102' ' ' ILE . 72.3 t -65.29 -52.03 57.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.415 177.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 88.7 mt -57.37 -43.94 83.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.948 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -54.97 -54.32 44.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.982 175.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.491 ' O ' HG22 ' A' ' 113' ' ' VAL . 46.7 m -63.13 -44.87 94.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.408 -177.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 86.8 mt -61.01 -38.62 86.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.247 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -64.8 -37.0 86.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.833 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.7 -40.73 76.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.523 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.544 ' O ' HG13 ' A' ' 117' ' ' ILE . 61.9 t -68.33 -43.16 84.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.195 0.522 . . . . 0.0 109.616 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.663 ' HG2' HD22 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -54.42 -40.29 68.14 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.55 179.569 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -65.38 -51.82 57.79 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.85 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -69.9 -26.79 64.33 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -174.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 113' ' ' VAL . 75.2 mt -63.13 -50.7 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.133 0.492 . . . . 0.0 110.004 172.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.47 -18.76 60.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.503 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.2 ttt85 -72.13 -31.15 65.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.27 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 . . . . . 0 C--N 1.324 -0.514 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 171.548 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.6 tp . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.609 0.719 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -45.23 70.24 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.011 -176.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -57.05 -50.49 72.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.975 0.416 . . . . 0.0 110.364 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 57.4 mtp -59.13 -34.96 72.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.123 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.5 ' O ' HG13 ' A' ' 14' ' ' ILE . 30.8 m -72.96 -49.07 31.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.27 176.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -54.54 -42.13 70.56 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.625 177.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.4 ' O ' HG23 ' A' ' 16' ' ' VAL . 7.0 tm0? -63.17 -44.96 93.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.857 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.454 ' SD ' HD21 ' A' ' 110' ' ' LEU . 50.9 ttm -61.77 -39.3 91.18 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.628 177.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 10' ' ' THR . 66.1 mt -63.68 -43.82 98.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 120.94 0.4 . . . . 0.0 110.594 176.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.23 -46.01 91.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.009 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 12' ' ' GLN . 70.5 t -62.84 -41.86 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.724 178.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.51 -52.03 66.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.863 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -55.55 -54.99 37.1 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.443 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.54 ' HA ' ' HB3' ' A' ' 22' ' ' ASP . 2.3 mptp? -70.64 -20.58 62.71 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -174.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.42 -48.44 44.64 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.239 -0.981 . . . . 0.0 111.213 174.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.63 -35.33 78.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.106 0.479 . . . . 0.0 109.918 175.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.54 ' HB3' ' HA ' ' A' ' 19' ' ' LYS . 23.3 t70 -58.0 -46.9 84.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.602 175.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -70.21 -35.0 73.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.517 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -66.73 -35.93 81.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.146 0.498 . . . . 0.0 109.946 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.097 176.417 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.443 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 25.6 ttpp . . . . . 0 CA--C 1.543 0.693 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 57.8 Cg_endo -72.01 -16.31 28.99 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.884 1.723 . . . . 0.0 112.885 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.35 -34.43 68.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.008 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.2 t -63.52 -36.26 75.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.391 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -65.84 -48.63 71.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.636 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -54.86 -59.74 4.31 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.835 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -59.79 -36.09 75.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.004 -175.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.526 ' HA ' HD21 ' A' ' 83' ' ' LEU . 30.2 t70 -64.87 -52.16 58.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.505 0.193 . . . . 0.0 110.775 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -61.87 -39.16 90.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.061 0.458 . . . . 0.0 110.767 176.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 tp -59.28 -53.24 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.488 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.37 -38.17 90.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.071 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.511 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . . . -61.39 -54.64 41.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -33.32 74.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.416 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -62.12 -50.62 71.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.493 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.35 -44.5 97.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -60.2 -42.53 95.3 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.13 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.92 -42.36 85.91 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.103 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.25 97.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.782 0.325 . . . . 0.0 110.851 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.415 HD22 HD13 ' A' ' 62' ' ' ILE . 71.5 mt -61.78 -41.18 97.39 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.622 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 10.3 tp10 -60.83 -44.16 97.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.36 0.6 . . . . 0.0 110.501 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.54 -45.64 82.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.586 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.73 ' HB ' ' HD3' ' A' ' 67' ' ' PRO . 44.4 pt -74.91 -20.09 16.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -174.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.622 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -79.9 -28.28 39.85 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.912 176.517 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.4 t -79.62 -49.72 19.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.205 0.526 . . . . 0.0 110.131 173.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.54 ' O ' ' HA ' ' A' ' 62' ' ' ILE . 37.8 mtp85 -126.79 121.06 30.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.794 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 66' ' ' ARG . 48.2 mtt-85 -52.44 139.97 36.73 Favored Pre-proline 0 C--O 1.236 0.346 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.696 -171.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.73 ' HD3' ' HB ' ' A' ' 62' ' ' ILE . 42.3 Cg_endo -68.38 119.37 6.37 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.871 2.381 . . . . 0.0 111.205 174.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -93.78 -64.57 1.07 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.746 -173.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -80.62 -53.15 6.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.013 0.435 . . . . 0.0 110.886 177.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.561 ' O ' ' HB2' ' A' ' 67' ' ' PRO . 14.8 p -78.29 150.97 5.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.246 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -114.77 154.55 28.34 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -64.85 -33.59 76.36 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -54.42 -44.14 72.13 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.09 174.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.417 ' O ' HG22 ' A' ' 78' ' ' VAL . 83.6 mm-40 -67.77 -44.02 78.43 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.771 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.12 -42.56 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.816 0.341 . . . . 0.0 111.11 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -71.1 -33.59 70.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 0.0 110.737 -178.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.41 -43.58 39.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.585 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 74' ' ' GLN . 50.7 t -62.41 -35.15 68.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 -176.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.511 ' HE3' ' HA ' ' A' ' 52' ' ' ALA . 78.0 tttt -57.37 -47.56 81.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.073 0.464 . . . . 0.0 110.11 176.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.59 -43.44 84.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.353 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 85' ' ' LEU . 91.0 m-20 -62.99 -34.58 77.84 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.262 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.414 ' CE1' ' HG3' ' A' ' 13' ' ' MET . 51.5 t80 -66.99 -50.02 63.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.604 0.24 . . . . 0.0 110.788 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.526 HD21 ' HA ' ' A' ' 48' ' ' ASP . 79.3 mt -63.63 -39.53 94.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.783 0.325 . . . . 0.0 110.389 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 5.8 mm-40 -62.75 -42.86 99.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.718 174.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.52 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -57.92 -43.69 86.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.36 -178.841 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.1 t -57.01 -49.36 79.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.509 177.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.516 ' O ' HG22 ' A' ' 91' ' ' VAL . 45.2 tp -67.21 -45.58 76.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.422 -177.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.52 ' HG2' ' HA ' ' A' ' 85' ' ' LEU . 20.5 pt20 -67.66 -21.2 65.37 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -175.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 67.3 m -71.27 -23.91 62.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.607 0.241 . . . . 0.0 111.164 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -101.33 -57.86 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.425 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 87' ' ' LEU . 33.3 m -76.27 -17.83 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.735 0.302 . . . . 0.0 111.647 -175.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.424 ' C ' ' H ' ' A' ' 94' ' ' ILE . 30.7 m170 57.82 43.12 22.24 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.006 175.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -80.53 26.11 0.4 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.129 0.49 . . . . 0.0 111.296 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.463 HG21 ' HB2' ' A' ' 88' ' ' GLN . 18.2 tt -154.81 152.25 9.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -178.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -100.58 171.38 7.76 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.839 -175.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -47.76 -54.74 11.36 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.88 -171.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -60.87 -43.63 98.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.568 -169.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 98' ' ' ARG . 27.8 mtp85 -79.06 -31.77 44.58 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.496 -178.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -61.74 -47.84 83.44 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.23 0.538 . . . . 0.0 110.39 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -65.01 -41.2 95.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.436 -177.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -68.71 -39.04 80.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.993 -177.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.464 ' O ' HG23 ' A' ' 106' ' ' VAL . 43.1 mt -61.25 -44.99 99.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.033 174.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 28.2 m -57.66 -46.03 84.76 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.414 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -56.19 -49.14 74.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.304 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.5 m -59.16 -41.14 87.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.226 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 102' ' ' ILE . 69.9 t -67.6 -50.0 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.378 178.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 67.0 mt -58.77 -43.92 90.49 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.354 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -53.68 -52.34 60.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.972 0.415 . . . . 0.0 110.726 176.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.414 ' O ' HG22 ' A' ' 113' ' ' VAL . 32.1 m -63.41 -42.58 98.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.31 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.454 HD21 ' SD ' ' A' ' 13' ' ' MET . 91.9 mt -61.93 -37.47 84.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.581 -178.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 57.9 m170 -64.77 -41.62 95.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.141 0.496 . . . . 0.0 109.887 177.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.57 92.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.592 -177.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.581 ' O ' HG13 ' A' ' 117' ' ' ILE . 99.8 t -69.57 -45.78 77.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.932 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -56.92 -49.03 76.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.515 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.89 -37.5 86.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.976 -177.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.665 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 18.2 mm-40 -63.57 -43.46 96.94 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.819 177.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' ' 113' ' ' VAL . 86.7 mt -55.02 -51.89 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 110.875 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.24 -27.51 65.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.018 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -68.73 -51.56 40.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.932 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.665 ' HG2' ' O ' ' A' ' 116' ' ' GLU . 3.3 mm-40 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.69 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.8 tp . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.989 0.423 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.8 tp -57.64 -53.54 56.97 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.489 -177.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -65.02 -36.57 84.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.622 0.249 . . . . 0.0 110.92 -177.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 81.5 mtp -59.55 -43.51 93.53 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.078 0.466 . . . . 0.0 110.556 178.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.489 ' O ' HG13 ' A' ' 14' ' ' ILE . 23.9 m -67.57 -47.4 69.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.462 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -56.28 -46.27 79.8 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.199 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.455 ' O ' HG23 ' A' ' 16' ' ' VAL . 64.8 tt0 -63.74 -41.41 98.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 49.9 ttm -62.16 -39.44 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.317 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 10' ' ' THR . 77.2 mt -59.75 -50.94 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.175 175.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.02 -46.8 87.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.243 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 12' ' ' GLN . 93.5 t -59.01 -43.46 89.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.787 0.327 . . . . 0.0 110.8 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.7 83.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.766 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.53 -42.42 98.44 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.394 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -68.85 -33.21 73.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.701 0.286 . . . . 0.0 110.906 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.27 -40.44 92.11 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.564 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.489 ' HA ' ' CE2' ' A' ' 99' ' ' PHE . . . -65.26 -41.65 94.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.074 0.464 . . . . 0.0 110.476 176.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.5 -38.03 88.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.568 176.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -70.56 -34.21 71.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.935 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -71.18 -35.4 71.58 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 174.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.564 177.089 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.599 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 69.6 tttt . . . . . 0 CA--C 1.538 0.482 0 CA-C-O 119.614 -0.231 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.599 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 2.6 Cg_exo -75.62 -52.25 0.1 Allowed 'Trans proline' 0 C--N 1.358 1.053 0 C-N-CA 121.797 1.665 . . . . 0.0 112.191 -174.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.89 -39.95 91.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.181 -178.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.3 t -57.03 -46.94 84.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.954 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -71.32 -45.54 62.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.467 -178.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -61.69 -52.28 64.95 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.851 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.434 HD21 ' HE2' ' A' ' 82' ' ' PHE . 16.1 m120 -64.86 -28.11 69.33 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.097 0.248 . . . . 0.0 111.44 -177.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -60.23 -54.03 50.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.739 0.304 . . . . 0.0 110.262 174.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -68.48 -34.76 76.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.509 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.7 tp -58.4 -53.12 61.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.06 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.26 -32.99 73.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.141 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.06 -49.72 73.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.792 0.329 . . . . 0.0 110.781 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -38.18 87.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.459 178.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -63.16 -43.89 97.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.31 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.75 80.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.975 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.31 -42.31 98.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.243 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.13 -42.66 83.59 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.19 178.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.433 ' O ' HG12 ' A' ' 62' ' ' ILE . . . -64.78 -36.37 84.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.578 0.228 . . . . 0.0 110.661 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.55 HD23 HD11 ' A' ' 62' ' ' ILE . 32.9 mt -61.79 -34.19 75.44 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.75 175.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 9.7 tp10 -71.09 -43.42 67.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.914 175.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.29 -47.29 84.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.637 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.55 HD11 HD23 ' A' ' 59' ' ' LEU . 36.4 pt -73.98 -11.81 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.003 0.43 . . . . 0.0 110.966 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -77.31 -33.99 55.5 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 174.786 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.6 t -88.87 -49.32 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.077 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.875 ' HD2' ' HA ' ' A' ' 120' ' ' GLU . 4.6 mmp_? -81.14 -32.29 33.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.071 -176.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 3.3 mpt_? 71.83 137.85 0.05 OUTLIER Pre-proline 0 N--CA 1.465 0.293 0 O-C-N 123.981 0.8 . . . . 0.0 110.341 -170.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 36.9 Cg_exo -60.57 103.98 0.24 Allowed 'Trans proline' 0 CA--C 1.53 0.275 0 C-N-CA 122.944 2.429 . . . . 0.0 112.664 -177.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -102.99 -53.91 2.73 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -86.19 -56.97 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.301 0.572 . . . . 0.0 110.151 175.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.433 HG21 HG23 ' A' ' 109' ' ' THR . 10.0 p -84.79 161.06 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.776 -176.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.466 ' O ' ' HB2' ' A' ' 74' ' ' GLN . 73.9 t60 -110.02 141.69 42.48 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -56.3 -44.38 79.8 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 117.949 0.34 . . . . 0.0 111.647 -172.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -55.54 -27.09 46.86 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.622 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.597 ' O ' HG21 ' A' ' 78' ' ' VAL . 72.6 mm-40 -71.06 -45.31 64.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.22 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.7 mp -55.6 -45.82 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 121.141 0.496 . . . . 0.0 110.573 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -72.56 -28.35 62.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.187 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.59 -34.24 40.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.597 HG21 ' O ' ' A' ' 74' ' ' GLN . 47.4 t -55.59 -42.45 68.76 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.353 -179.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.421 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 75.9 tttt -54.94 -52.93 61.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.958 0.409 . . . . 0.0 111.148 -178.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.69 -43.08 66.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.048 -176.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -64.11 -33.94 76.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.267 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.434 ' HE2' HD21 ' A' ' 47' ' ' ASN . 64.3 t80 -69.05 -43.08 75.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.455 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 79' ' ' LYS . 94.5 mt -62.13 -41.9 98.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.032 0.444 . . . . 0.0 110.262 177.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 15.0 tp10 -63.1 -44.73 94.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.092 175.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.418 HD11 ' HA ' ' A' ' 103' ' ' THR . 6.8 tt -55.66 -49.82 71.87 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.814 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.1 t -61.37 -43.95 97.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.734 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.6 ' O ' HG21 ' A' ' 91' ' ' VAL . 57.1 tp -64.23 -53.16 53.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -178.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 13.7 pt20 -61.91 -26.54 68.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.611 -176.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.5 t -65.92 -39.62 90.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.731 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -88.28 -49.36 7.03 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.6 HG21 ' O ' ' A' ' 87' ' ' LEU . 34.5 m -76.5 -21.18 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.655 -175.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 33.9 m170 61.81 41.72 11.39 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 122.634 0.374 . . . . 0.0 111.94 176.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -89.1 28.88 1.13 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.316 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 23.3 pt -140.15 -178.31 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.16 0.505 . . . . 0.0 110.824 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -104.03 155.69 18.47 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 170.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -53.5 -42.52 67.43 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -171.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.56 ' HZ1' ' HB2' ' A' ' 97' ' ' LYS . 4.4 ttmp? -61.03 -35.66 77.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.704 0.288 . . . . 0.0 111.656 -177.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -64.68 -35.96 82.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.171 0.51 . . . . 0.0 110.506 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.489 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 77.3 t80 -66.76 -43.56 83.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.291 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -63.55 -46.38 86.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.488 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.55 -54.48 45.45 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.117 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.457 ' O ' HG23 ' A' ' 106' ' ' VAL . 67.5 mt -59.68 -47.29 91.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.948 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.418 ' HA ' HD11 ' A' ' 85' ' ' LEU . 41.2 m -60.45 -45.8 92.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 111.037 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -65.93 -43.54 87.77 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.56 -177.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.9 t -58.83 -41.09 86.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.64 177.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 102' ' ' ILE . 95.4 t -69.17 -48.93 66.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.716 178.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.42 -41.93 86.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.646 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -60.28 -46.61 89.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.906 0.384 . . . . 0.0 110.222 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 113' ' ' VAL . 55.4 m -60.8 -45.58 93.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.095 179.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 96.0 mt -59.71 -41.32 90.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.286 -178.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -68.54 -32.47 72.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.43 -40.69 77.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.906 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.452 ' O ' HG13 ' A' ' 117' ' ' ILE . 63.6 t -71.94 -39.75 67.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.138 0.494 . . . . 0.0 110.134 -178.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -60.46 -37.97 82.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.586 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -72.93 -34.68 66.74 Favored 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.434 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -63.11 -40.48 97.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.263 0.554 . . . . 0.0 109.987 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 113' ' ' VAL . 79.8 mt -62.21 -39.82 85.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.32 176.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.89 -30.28 67.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.295 0.569 . . . . 0.0 110.259 175.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -80.08 -4.48 52.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.654 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.875 ' HA ' ' HD2' ' A' ' 65' ' ' ARG . 7.9 tp10 . . . . . 0 N--CA 1.466 0.333 0 CA-C-O 121.506 0.67 . . . . 0.0 109.793 169.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.486 ' HA ' ' HE1' ' A' ' 9' ' ' MET . 55.7 tp . . . . . 0 C--O 1.232 0.18 0 CA-C-O 121.463 0.649 . . . . 0.0 110.343 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.481 ' HG ' ' HG2' ' A' ' 11' ' ' GLU . 34.3 tp -74.54 -37.0 63.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.223 -175.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -59.56 -42.76 93.15 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -172.549 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.486 ' HE1' ' HA ' ' A' ' 6' ' ' LEU . 4.3 mpp? -62.02 -40.03 94.32 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.282 176.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.458 ' O ' HG12 ' A' ' 14' ' ' ILE . 41.1 m -63.84 -48.6 76.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.168 176.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.481 ' HG2' ' HG ' ' A' ' 7' ' ' LEU . 19.5 mm-40 -57.7 -43.16 84.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.352 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.492 ' O ' HG22 ' A' ' 16' ' ' VAL . 55.2 tp60 -67.39 -40.55 85.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.409 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.597 ' SD ' HD22 ' A' ' 110' ' ' LEU . 47.4 ttm -66.64 -36.94 83.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.243 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 10' ' ' THR . 18.0 mm -55.2 -47.79 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.216 0.531 . . . . 0.0 110.007 173.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.543 ' HG2' ' HD3' ' A' ' 19' ' ' LYS . 37.5 tt0 -65.84 -44.95 83.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.171 -177.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 12' ' ' GLN . 99.8 t -62.2 -39.66 84.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.533 0.206 . . . . 0.0 110.851 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.59 -54.38 32.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.526 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -57.03 -55.17 38.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.1 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.543 ' HD3' ' HG2' ' A' ' 15' ' ' GLU . 41.9 mtpt -72.48 -28.75 63.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.679 -175.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.97 -48.57 59.77 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.567 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.83 95.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.981 0.42 . . . . 0.0 110.673 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.21 -42.5 96.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.778 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -62.86 -37.75 88.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.463 0.649 . . . . 0.0 110.42 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -71.39 -34.92 70.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.322 177.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--O 1.236 0.345 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.34 178.332 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.589 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 64.8 tttp . . . . . 0 CA--C 1.532 0.253 0 CA-C-O 119.378 -0.344 . . . . 0.0 111.319 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.589 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 22.6 Cg_exo -64.07 -50.28 3.08 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.595 1.53 . . . . 0.0 111.636 -177.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.88 -40.55 76.41 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.997 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.95 -47.41 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.009 0.433 . . . . 0.0 110.914 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -69.35 -39.19 78.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.594 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -64.25 -49.05 73.41 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.077 176.789 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -65.42 -36.73 84.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.472 -176.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.67 -57.28 12.11 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.23 0.331 . . . . 0.0 111.273 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 53' ' ' ARG . 39.4 mt-10 -73.09 -27.91 61.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.045 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 13.4 tp -60.09 -53.04 62.44 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 178.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.39 -40.34 89.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.953 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.73 96.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.366 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 4.3 mmm180 -74.61 -34.55 62.84 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.811 0.339 . . . . 0.0 110.964 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.7 t90 -65.87 -49.38 68.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.04 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.01 93.5 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.847 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -55.73 -48.14 75.71 Favored 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 123.212 0.605 . . . . 0.0 111.343 178.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.38 -41.94 57.62 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.518 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.67 98.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.719 0.295 . . . . 0.0 111.013 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.495 HD22 HD11 ' A' ' 62' ' ' ILE . 26.7 mt -61.38 -41.78 97.66 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.733 177.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 5.3 tp10 -63.06 -45.4 92.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.352 0.596 . . . . 0.0 109.852 177.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.99 -49.93 75.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.283 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.495 HD11 HD22 ' A' ' 59' ' ' LEU . 34.1 pt -71.13 -24.86 24.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -174.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.528 ' HZ1' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -82.1 -20.59 37.82 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.654 179.499 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.5 t -95.99 -53.34 8.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.393 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.586 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 32.1 ttt85 -91.56 -5.47 53.99 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -173.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.586 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 91.3 mtt180 77.28 150.2 0.12 Allowed Pre-proline 0 N--CA 1.471 0.588 0 C-N-CA 123.048 0.539 . . . . 0.0 111.268 -177.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -71.02 90.36 0.65 Allowed 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.659 2.239 . . . . 0.0 111.387 174.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -82.97 -60.76 2.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 -175.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -94.43 -56.37 2.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.267 0.556 . . . . 0.0 110.395 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.435 HG21 HG23 ' A' ' 109' ' ' THR . 12.6 p -87.43 150.89 3.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.416 -177.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -104.18 156.77 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -57.6 -40.29 78.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.932 0.396 . . . . 0.0 110.767 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.05 -29.49 69.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.087 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.454 ' O ' HG23 ' A' ' 78' ' ' VAL . 75.5 mm-40 -68.15 -44.68 75.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.842 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.0 mp -58.81 -44.07 89.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 121.073 0.464 . . . . 0.0 110.23 178.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -70.64 -29.61 66.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.805 -178.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.66 -45.74 57.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 177.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 74' ' ' GLN . 78.1 t -59.02 -39.76 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.769 -178.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -56.87 -46.78 81.6 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.068 0.461 . . . . 0.0 110.372 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -73.92 -46.98 40.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.49 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -56.88 -44.01 81.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.46 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.427 ' O ' HG23 ' A' ' 86' ' ' VAL . 41.5 t80 -61.19 -52.45 64.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -176.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 45.7 mt -66.59 -38.92 88.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.303 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.551 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 7.4 mm-40 -62.94 -49.54 74.35 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.524 175.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.3 tt -52.55 -48.61 66.02 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.408 0.443 . . . . 0.0 110.664 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 82' ' ' PHE . 91.8 t -56.97 -50.09 77.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.99 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 43.6 tp -68.3 -42.49 79.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.175 -177.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.551 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 95.7 mt-30 -65.29 -27.31 68.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.14 -176.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 61.5 m -69.89 -38.53 76.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.824 0.345 . . . . 0.0 110.731 177.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -73.17 -48.67 33.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.208 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 29.6 m -84.15 -2.94 7.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.405 -176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 34.6 m80 60.74 44.6 10.96 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.823 177.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -80.52 -20.39 43.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.439 -178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.0 pp -99.44 -179.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.139 176.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.08 -67.15 0.79 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.613 0.244 . . . . 0.0 110.855 177.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -166.88 -57.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.426 -175.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.409 ' HB3' ' HD3' ' A' ' 98' ' ' ARG . 28.2 tptt -54.02 -57.31 11.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.242 -172.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.409 ' HD3' ' HB3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -75.56 -29.53 59.38 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.057 -176.084 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -58.89 -43.14 90.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.967 0.413 . . . . 0.0 110.588 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -61.96 -51.75 66.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.78 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -61.78 -43.24 99.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.329 -177.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.419 ' O ' HG22 ' A' ' 106' ' ' VAL . 82.8 mt -59.55 -47.12 92.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.534 176.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 37.3 m -60.84 -43.85 97.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.996 0.426 . . . . 0.0 110.285 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -63.38 -37.27 86.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.486 178.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 43.7 m -66.16 -40.52 90.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.705 0.288 . . . . 0.0 110.817 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 102' ' ' ILE . 90.7 t -64.06 -50.59 76.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.258 176.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.33 -40.11 89.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.262 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -53.68 -49.69 67.47 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.059 0.457 . . . . 0.0 110.658 175.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.435 HG23 HG21 ' A' ' 70' ' ' VAL . 89.4 m -62.7 -44.85 95.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.743 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.597 HD22 ' SD ' ' A' ' 13' ' ' MET . 95.5 mt -62.83 -40.41 97.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.495 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -64.27 -37.2 86.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.894 0.378 . . . . 0.0 110.954 178.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.4 -48.95 73.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.9 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 41.1 t -68.08 -34.25 65.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.42 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -55.18 -43.66 74.55 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.569 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -63.43 -49.35 74.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.943 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.49 -53.4 54.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 123.486 0.491 . . . . 0.0 111.151 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 75.6 mt -58.21 -49.37 81.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.333 -177.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.14 -23.74 59.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.188 -176.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -70.55 -53.09 17.46 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.518 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 . . . . . 0 C--O 1.234 0.28 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.452 176.1 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.4 tp . . . . . 0 C--O 1.233 0.229 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.0 tp -77.5 -37.49 50.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.757 -177.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -37.06 76.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.077 0.465 . . . . 0.0 110.744 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.504 ' SD ' ' HD2' ' A' ' 53' ' ' ARG . 44.7 ttp -61.52 -37.1 82.47 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.913 172.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.458 ' O ' HG13 ' A' ' 14' ' ' ILE . 62.0 m -66.68 -46.37 75.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.06 175.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.44 -36.9 74.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 176.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.445 ' O ' HG22 ' A' ' 16' ' ' VAL . 48.4 tt0 -61.05 -47.97 83.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.497 175.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.487 ' SD ' HD22 ' A' ' 110' ' ' LEU . 47.3 ttm -61.25 -39.88 92.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.55 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 10' ' ' THR . 80.8 mt -63.87 -44.11 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.266 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.11 -42.64 95.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.673 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 12' ' ' GLN . 98.0 t -63.56 -44.59 98.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 177.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.75 -48.23 77.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.792 0.33 . . . . 0.0 110.885 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -57.15 -53.15 61.35 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.4 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HD2' ' HA ' ' A' ' 19' ' ' LYS . 8.0 tptp -69.07 -24.44 64.16 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.211 -177.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.53 -44.65 92.58 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.374 174.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.23 -38.5 78.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.313 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.438 ' HB3' ' HA ' ' A' ' 19' ' ' LYS . 14.5 t70 -60.05 -42.99 95.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.778 175.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -62.63 -44.63 95.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.476 178.74 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -65.81 -34.81 79.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.879 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.067 0.461 . . . . 0.0 110.15 179.455 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 25.0 mmtp . . . . . 0 CA--C 1.532 0.286 0 CA-C-O 119.547 -0.264 . . . . 0.0 110.637 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -68.05 -40.14 9.55 Favored 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 121.691 1.594 . . . . 0.0 112.086 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.45 99.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.306 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.5 t -61.69 -41.68 91.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.571 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 44.0 mt-10 -64.42 -50.01 69.26 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.974 0.416 . . . . 0.0 110.71 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -61.35 -59.89 4.58 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.114 -177.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.59 HD21 ' HE2' ' A' ' 82' ' ' PHE . 18.9 m120 -62.41 -26.97 68.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.688 -1.142 . . . . 0.0 112.216 -174.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -66.55 -55.44 15.45 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 176.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.8 -33.94 76.24 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 121.163 0.506 . . . . 0.0 110.163 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.41 HD12 ' OE1' ' A' ' 12' ' ' GLN . 10.9 tp -61.56 -52.44 64.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.201 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.519 ' HB3' ' HG3' ' A' ' 79' ' ' LYS . . . -72.39 -25.65 61.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.957 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.06 -54.88 17.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.547 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.504 ' HD2' ' SD ' ' A' ' 9' ' ' MET . 3.9 tmt_? -59.69 -38.41 81.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.103 177.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -63.62 -52.6 60.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.604 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.46 -43.96 96.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.242 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -58.43 -39.14 78.97 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 120.631 0.253 . . . . 0.0 110.923 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.17 -48.23 20.49 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.554 178.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.02 96.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.657 0.265 . . . . 0.0 111.167 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.472 HD22 HD12 ' A' ' 62' ' ' ILE . 37.0 mt -64.4 -37.61 88.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.993 177.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -62.41 -40.05 95.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.043 0.449 . . . . 0.0 109.964 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.5 tp -62.03 -48.89 78.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.527 HG21 ' HB3' ' A' ' 67' ' ' PRO . 37.1 pt -78.32 -11.34 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.348 0.594 . . . . 0.0 111.107 -177.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -81.82 -39.62 23.72 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.618 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 90.0 t -87.98 -45.95 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.827 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.9 mtp85 -114.94 -166.33 1.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.321 -177.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -104.1 132.49 20.95 Favored Pre-proline 0 C--O 1.236 0.345 0 CA-C-O 120.982 0.42 . . . . 0.0 111.432 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.527 ' HB3' HG21 ' A' ' 62' ' ' ILE . 55.3 Cg_endo -72.06 134.28 23.02 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.493 2.129 . . . . 0.0 111.035 172.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -100.66 -34.72 9.75 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.622 -173.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.53 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 54.9 m-85 -115.16 -46.02 2.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.041 0.448 . . . . 0.0 111.246 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.505 ' O ' ' HB2' ' A' ' 67' ' ' PRO . 7.4 p -93.59 167.15 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.162 -172.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -121.95 177.9 5.11 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -67.05 -57.76 6.21 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.969 0.414 . . . . 0.0 111.772 -175.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -60.73 -34.33 74.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.111 -173.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.598 ' O ' HG22 ' A' ' 78' ' ' VAL . 12.3 mm-40 -55.04 -53.38 56.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.481 HD11 HD13 ' A' ' 62' ' ' ILE . 75.8 mt -59.73 -39.02 78.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.468 -176.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.442 ' HG2' HD12 ' A' ' 59' ' ' LEU . 29.3 mt-10 -76.93 -33.92 57.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.861 0.362 . . . . 0.0 110.686 -177.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.61 -29.78 61.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.792 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 74' ' ' GLN . 29.7 t -56.64 -42.02 75.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.316 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.519 ' HG3' ' HB3' ' A' ' 51' ' ' ALA . 84.4 tttt -58.52 -49.07 78.72 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.625 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -64.36 -36.25 83.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.33 0.586 . . . . 0.0 110.859 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -75.25 -35.67 61.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.336 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.59 ' HE2' HD21 ' A' ' 47' ' ' ASN . 33.8 t80 -69.41 -36.3 76.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.394 -178.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 79' ' ' LYS . 96.9 mt -63.89 -41.55 97.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.978 174.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 10.4 tp10 -63.16 -42.1 99.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.242 175.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.0 tt -54.5 -45.42 73.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.58 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.54 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.544 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.485 ' O ' HG21 ' A' ' 91' ' ' VAL . 59.9 tp -64.16 -49.63 71.34 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.39 -177.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 12.6 pt20 -65.57 -23.2 66.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.239 -177.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.1 t -67.69 -29.42 68.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.932 0.396 . . . . 0.0 109.999 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -95.72 -57.69 2.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.79 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.485 HG21 ' O ' ' A' ' 87' ' ' LEU . 35.5 m -84.39 -15.82 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -173.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 25.3 m170 59.41 30.63 20.35 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 174.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -82.62 35.15 0.45 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.082 0.468 . . . . 0.0 112.015 -173.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.668 ' HB ' ' HB2' ' A' ' 98' ' ' ARG . 2.1 pp -129.13 13.15 2.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.913 0.387 . . . . 0.0 111.077 -179.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 61.51 -76.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.623 -174.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -162.14 -54.87 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.687 -176.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -66.66 -41.77 87.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.863 -170.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.668 ' HB2' ' HB ' ' A' ' 94' ' ' ILE . 62.8 mtt180 -60.0 -29.39 68.44 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.42 ' HB2' HD13 ' A' ' 94' ' ' ILE . 46.3 t80 -59.91 -42.1 93.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.031 0.443 . . . . 0.0 110.167 -179.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -67.79 -53.41 27.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.936 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -56.95 -45.91 82.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.693 -174.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.414 ' O ' HG21 ' A' ' 106' ' ' VAL . 65.5 mt -63.76 -43.59 98.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.4 m -62.91 -42.78 99.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.068 0.461 . . . . 0.0 110.085 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -60.35 -46.78 88.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.066 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.9 m -57.8 -42.85 85.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 0.0 111.009 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.442 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 94.8 t -69.33 -52.36 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.86 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.479 HD21 HD12 ' A' ' 110' ' ' LEU . 41.1 mt -60.58 -39.28 87.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.778 -177.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -59.58 -42.98 93.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.359 0.599 . . . . 0.0 109.955 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.48 HG22 HG21 ' A' ' 78' ' ' VAL . 30.3 m -70.08 -39.4 75.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.707 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.487 HD22 ' SD ' ' A' ' 13' ' ' MET . 94.1 mt -61.46 -39.76 92.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 178.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -56.8 -44.79 82.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.296 0.57 . . . . 0.0 110.34 175.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.53 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . . . -64.3 -49.3 72.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.492 -177.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.8 t -71.71 -33.91 50.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.031 0.443 . . . . 0.0 110.396 -174.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 114' ' ' LYS . 0.5 OUTLIER -57.88 -47.41 82.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.672 177.625 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.36 -37.96 80.97 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.497 -178.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 112' ' ' ALA . 28.3 mm-40 -54.6 -52.76 61.16 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 111.203 177.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 75.1 mt -58.62 -46.04 90.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.139 -177.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.85 -16.25 58.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.526 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -86.39 -39.55 16.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.388 . . . . 0.0 110.503 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.277 -178.773 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.503 HD13 ' HE3' ' A' ' 9' ' ' MET . 36.6 tp . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 121.287 0.565 . . . . 0.0 110.23 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.699 ' HG ' ' HG2' ' A' ' 11' ' ' GLU . 35.1 tp -70.6 -35.78 73.17 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.671 -175.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 9' ' ' MET . 5.9 pt-20 -51.89 -45.92 64.35 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -174.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.503 ' HE3' HD13 ' A' ' 6' ' ' LEU . 3.5 mpp? -63.06 -42.68 99.73 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.844 0.354 . . . . 0.0 110.314 -178.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.538 ' O ' HG13 ' A' ' 14' ' ' ILE . 19.6 m -64.35 -50.88 65.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.987 178.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.699 ' HG2' ' HG ' ' A' ' 7' ' ' LEU . 23.8 mm-40 -54.46 -49.63 69.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.513 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.407 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -58.56 -48.97 79.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.401 178.17 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.61 ' SD ' HD23 ' A' ' 110' ' ' LEU . 49.8 ttm -62.68 -36.74 83.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.941 -178.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 10' ' ' THR . 78.4 mt -65.13 -51.02 71.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.583 0.23 . . . . 0.0 110.772 178.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.82 -37.66 82.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.995 -176.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 12' ' ' GLN . 72.2 t -64.61 -39.19 84.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.256 175.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.44 -49.54 75.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.498 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -58.9 -48.61 80.82 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.395 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -63.23 -40.27 96.98 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.674 0.273 . . . . 0.0 111.11 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.73 -38.25 94.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.215 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.92 -35.23 74.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.717 0.294 . . . . 0.0 110.825 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.743 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 20.7 t70 -75.43 -32.51 60.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.117 0.484 . . . . 0.0 110.461 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.437 ' HD3' ' O ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -64.41 -39.27 93.52 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 172.697 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.803 ' HE2' ' HA ' ' A' ' 96' ' ' LYS . 27.2 t80 -75.12 -32.55 61.41 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.031 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.743 ' HG3' ' O ' ' A' ' 22' ' ' ASP . 5.1 pp0? . . . . . 0 C--O 1.231 0.114 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.536 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.8 mttm . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.41 -40.7 23.38 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 121.702 1.601 . . . . 0.0 111.993 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.6 85.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.736 -177.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.5 t -61.39 -38.89 81.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.686 0.279 . . . . 0.0 111.014 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -70.34 -50.87 34.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.65 0.262 . . . . 0.0 110.95 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -56.03 -55.11 36.8 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.579 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -67.51 -29.19 68.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.144 -174.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.92 -47.58 74.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.782 0.325 . . . . 0.0 110.166 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.49 -40.11 89.09 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.014 0.435 . . . . 0.0 109.907 176.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 tp -55.62 -53.26 58.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.528 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.654 ' HB1' ' HG2' ' A' ' 79' ' ' LYS . . . -62.78 -38.26 89.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.459 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.0 -52.84 53.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.128 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -34.17 77.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.662 -179.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.407 ' HB2' ' HB3' ' A' ' 9' ' ' MET . 79.1 t90 -66.0 -49.31 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.167 176.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.75 -44.86 82.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.831 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -57.67 -53.21 60.77 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.031 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.94 -42.53 99.66 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.994 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.41 -43.25 81.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.84 0.352 . . . . 0.0 111.024 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.581 HD23 ' HG3' ' A' ' 72' ' ' LYS . 24.9 mt -66.96 -37.4 84.2 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 177.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.508 ' O ' HG22 ' A' ' 64' ' ' VAL . 24.9 tp10 -65.79 -39.52 91.03 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.86 -51.03 71.29 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 38.9 pt -67.61 -31.38 52.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -174.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -26.36 34.16 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.585 178.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 60' ' ' GLU . 39.3 t -68.6 -48.0 74.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.605 0.241 . . . . 0.0 110.63 177.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -106.42 -80.32 0.56 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.949 177.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.545 ' HG3' ' HD2' ' A' ' 67' ' ' PRO . 11.6 ttm180 -175.44 141.33 0.64 Allowed Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -176.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.545 ' HD2' ' HG3' ' A' ' 66' ' ' ARG . 50.3 Cg_exo -54.26 115.03 2.09 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.643 2.228 . . . . 0.0 112.278 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.461 ' HD2' ' OE2' ' A' ' 116' ' ' GLU . 6.9 ttmt -139.19 115.6 10.51 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -176.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 67.16 -70.08 0.12 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.658 0.599 . . . . 0.0 111.025 -177.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.7 p -76.1 140.39 17.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.203 0.525 . . . . 0.0 109.82 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -135.07 161.24 35.88 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -178.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.581 ' HG3' HD23 ' A' ' 59' ' ' LEU . 65.2 tttp -59.61 -39.8 85.43 Favored 'General case' 0 CA--C 1.52 -0.2 0 O-C-N 123.203 0.314 . . . . 0.0 110.457 -178.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -51.01 -44.22 60.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.98 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -69.47 -46.21 67.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.693 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 72.5 mt -60.71 -39.98 83.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.227 -177.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -68.31 -42.08 79.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.984 0.421 . . . . 0.0 110.231 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.47 71.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.839 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.464 HG21 ' HB ' ' A' ' 109' ' ' THR . 77.9 t -67.12 -42.25 88.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.349 -177.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.654 ' HG2' ' HB1' ' A' ' 51' ' ' ALA . 14.4 tmtt? -55.77 -41.41 73.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.201 0.524 . . . . 0.0 110.377 179.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.49 -49.8 20.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.833 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -64.59 -31.68 73.0 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.04 -177.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.401 ' O ' HG23 ' A' ' 86' ' ' VAL . 51.3 t80 -65.52 -45.16 84.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.846 0.355 . . . . 0.0 110.58 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.98 -41.48 98.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.077 0.465 . . . . 0.0 110.359 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 24.9 mm-40 -61.44 -47.3 86.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.532 175.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.7 tt -52.64 -49.42 65.2 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 122.9 0.48 . . . . 0.0 110.818 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 82' ' ' PHE . 65.1 t -57.01 -46.98 84.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.019 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.418 ' O ' HG21 ' A' ' 91' ' ' VAL . 52.2 tp -66.83 -45.66 77.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 16.7 mm-40 -69.14 -24.38 64.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.762 -174.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.406 ' HA ' ' HD1' ' A' ' 24' ' ' TYR . 24.7 t -66.47 -21.54 66.19 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.061 0.458 . . . . 0.0 110.134 177.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -102.88 -57.91 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.647 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.418 HG21 ' O ' ' A' ' 87' ' ' LEU . 34.0 m -72.28 -23.78 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -174.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 50.4 m170 60.73 36.48 19.37 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.351 0.407 . . . . 0.0 111.866 175.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.499 ' HB3' ' OE1' ' A' ' 88' ' ' GLN . 68.2 t60 -69.68 -34.74 74.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.675 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.52 HG12 ' HB3' ' A' ' 88' ' ' GLN . 44.2 pt -96.65 159.39 3.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.386 177.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -82.59 168.49 17.28 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.96 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.803 ' HA ' ' HE2' ' A' ' 24' ' ' TYR . 42.7 tttp -68.41 -31.12 70.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.817 -169.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -71.77 -53.83 12.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 -177.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -62.86 -33.91 76.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.065 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -57.36 -41.43 80.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.876 0.37 . . . . 0.0 110.282 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.557 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 25.4 tptp -64.52 -44.24 91.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.457 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -65.48 -37.85 88.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.711 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.58 -43.02 96.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.849 174.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.6 m -58.84 -45.28 90.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.869 174.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 100' ' ' LYS . 33.3 mm-40 -56.0 -48.94 74.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.516 176.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.7 m -57.1 -45.35 83.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.27 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.44 HG12 HG11 ' A' ' 78' ' ' VAL . 97.6 t -66.88 -53.8 30.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.628 179.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.423 HD23 HD13 ' A' ' 110' ' ' LEU . 29.0 mt -60.55 -35.3 75.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.986 -178.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -57.19 -52.11 66.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.931 0.396 . . . . 0.0 110.573 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.464 ' HB ' HG21 ' A' ' 78' ' ' VAL . 41.8 m -66.93 -38.73 86.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.61 HD23 ' SD ' ' A' ' 13' ' ' MET . 89.9 mt -59.9 -40.93 90.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.052 178.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -64.27 -36.3 83.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.506 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.44 -42.27 87.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.532 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.427 ' O ' HG13 ' A' ' 117' ' ' ILE . 60.8 t -71.8 -43.18 69.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.015 0.436 . . . . 0.0 110.303 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -61.13 -40.64 94.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.539 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -70.98 -39.89 72.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.537 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.461 ' OE2' ' HD2' ' A' ' 68' ' ' LYS . 7.9 mm-40 -59.85 -47.17 86.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.779 176.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 113' ' ' VAL . 83.7 mt -59.84 -44.44 94.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.844 0.354 . . . . 0.0 110.543 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.66 -17.02 61.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.106 0.479 . . . . 0.0 110.959 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -83.19 -44.53 14.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.975 177.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.048 178.625 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.449 ' HA ' ' HE1' ' A' ' 9' ' ' MET . 56.1 tp . . . . . 0 N--CA 1.468 0.426 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.449 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 32.8 tp -61.68 -31.29 71.41 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -170.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -55.09 -36.38 65.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.449 ' HE1' ' HA ' ' A' ' 6' ' ' LEU . 4.4 mpp? -65.67 -32.25 73.72 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.317 178.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.514 ' O ' HG12 ' A' ' 14' ' ' ILE . 17.2 m -73.62 -47.42 40.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.766 175.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 11.4 mm-40 -55.39 -45.3 76.64 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.699 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.502 ' O ' HG21 ' A' ' 16' ' ' VAL . 59.1 tt0 -62.71 -47.66 82.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.393 177.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.8 ttm -60.64 -36.32 78.37 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.514 HG12 ' O ' ' A' ' 10' ' ' THR . 28.6 mm -55.16 -52.16 47.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.795 175.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -67.47 -37.22 82.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.161 -176.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.502 HG21 ' O ' ' A' ' 12' ' ' GLN . 89.4 t -60.88 -42.19 91.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.715 0.293 . . . . 0.0 110.615 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.4 -49.81 67.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.749 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -58.93 -41.04 86.41 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.61 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 36.3 mttp -66.14 -44.74 83.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.04 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.75 -49.96 72.88 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.628 -178.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.458 ' HA ' ' CE2' ' A' ' 99' ' ' PHE . . . -58.2 -44.21 87.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.026 0.441 . . . . 0.0 111.346 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.602 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 4.2 t70 -72.81 -35.9 67.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.461 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -67.58 -36.49 80.99 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.237 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -70.65 -34.49 72.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.346 175.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 6.5 pt20 . . . . . 0 CA--C 1.532 0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 110.283 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.941 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 3.1 mmpt? . . . . . 0 CA--C 1.537 0.466 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.542 ' HD3' ' HB2' ' A' ' 41' ' ' LYS . 47.0 Cg_exo -56.47 -49.96 13.35 Favored 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 122.134 1.889 . . . . 0.0 113.172 -173.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.99 -35.93 79.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.475 -178.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.3 t -58.96 -54.59 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.219 -175.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.52 -38.12 88.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.619 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.32 -61.34 2.18 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.698 0.761 . . . . 0.0 111.236 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -62.67 -31.11 71.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.22 -1.355 . . . . 0.0 112.195 -172.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.65 -46.13 83.83 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.629 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -73.7 -38.35 64.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.096 0.474 . . . . 0.0 110.531 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.9 tp -58.27 -53.16 61.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.726 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.521 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -65.18 -30.23 71.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.289 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.6 -53.58 45.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.084 0.469 . . . . 0.0 110.473 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -69.21 -30.59 68.8 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.281 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -60.91 -47.61 85.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.152 175.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.46 -46.2 87.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.77 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -59.5 -42.56 92.45 Favored 'General case' 0 N--CA 1.432 -1.37 0 C-N-CA 123.229 0.611 . . . . 0.0 110.977 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.28 -45.19 91.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.239 178.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.87 98.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.871 0.367 . . . . 0.0 110.619 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.669 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 69.1 mt -60.24 -40.47 90.36 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.937 177.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.504 ' HA ' ' HD2' ' A' ' 63' ' ' LYS . 11.0 tp10 -55.71 -44.94 77.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.545 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.99 -40.78 95.48 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -177.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.603 ' HB ' ' HG3' ' A' ' 67' ' ' PRO . 26.4 pt -70.92 -35.39 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -174.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.669 ' HG3' ' O ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -83.19 -20.06 35.36 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 179.109 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 60' ' ' GLU . 54.9 t -78.19 -49.86 20.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.456 174.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.4 mtt-85 -106.89 -99.44 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.727 176.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.47 132.51 0.18 Allowed Pre-proline 0 C--N 1.33 -0.25 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.603 ' HG3' ' HB ' ' A' ' 62' ' ' ILE . 16.6 Cg_exo -65.72 132.36 30.44 Favored 'Trans proline' 0 N--CA 1.473 0.268 0 C-N-CA 122.614 2.209 . . . . 0.0 113.027 -174.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -98.88 -50.88 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.984 0.421 . . . . 0.0 110.805 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.422 ' CB ' ' HB3' ' A' ' 112' ' ' ALA . 74.0 m-85 -101.15 -52.6 3.23 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.358 -178.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.55 163.9 3.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.652 -174.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -135.58 144.8 46.38 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 17.9 ptmt -54.78 -42.5 71.8 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -175.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' A' ' 72' ' ' LYS . 40.7 tt0 -57.48 -42.21 82.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.023 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.483 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 11.7 mm-40 -65.71 -37.12 85.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.09 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.47 -43.89 98.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.059 0.456 . . . . 0.0 110.491 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.84 -39.26 90.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.689 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.56 -46.62 53.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.615 -178.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.52 HG11 HG11 ' A' ' 106' ' ' VAL . 30.2 t -57.56 -41.76 79.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.521 ' HG3' ' HB1' ' A' ' 51' ' ' ALA . 83.1 tttt -52.94 -50.05 64.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.849 0.357 . . . . 0.0 111.196 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -74.76 -42.18 58.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 -176.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -62.98 -34.35 77.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.074 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.406 ' O ' HG22 ' A' ' 86' ' ' VAL . 74.0 t80 -65.02 -45.46 85.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.352 177.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.0 mt -62.88 -45.39 92.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.784 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.579 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 43.9 tt0 -63.33 -38.28 90.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.193 177.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.779 ' HA ' HE21 ' A' ' 88' ' ' GLN . 7.2 tt -58.54 -54.15 50.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.997 178.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 82' ' ' PHE . 66.4 t -58.91 -40.83 81.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.723 0.296 . . . . 0.0 110.871 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.54 -57.63 12.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.847 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.779 HE21 ' HA ' ' A' ' 85' ' ' LEU . 3.5 pp0? -80.06 -8.55 59.44 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -173.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.0 m -67.34 -26.31 66.43 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.685 0.279 . . . . 0.0 110.525 176.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -80.72 -55.91 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.908 0.385 . . . . 0.0 110.887 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.405 HG23 ' HA ' ' A' ' 88' ' ' GLN . 19.1 m -75.22 -15.69 15.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -174.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 43.7 m170 64.78 24.93 12.9 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.74 0.416 . . . . 0.0 110.77 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -84.53 55.96 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.325 0.583 . . . . 0.0 110.947 -173.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.439 HD12 ' HB3' ' A' ' 98' ' ' ARG . 18.7 tt -157.63 146.52 10.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.433 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -88.34 46.03 1.34 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -174.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 99' ' ' PHE . 46.5 mttp 69.91 -65.76 0.3 Allowed 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 167.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.551 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 36.1 pttt -56.25 -46.48 79.59 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -170.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.551 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -71.44 -22.81 61.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.934 0.397 . . . . 0.0 110.263 -175.669 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.458 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 86.1 t80 -64.29 -44.63 91.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.834 177.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -67.22 -38.16 84.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.414 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -56.92 -50.64 71.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.559 176.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.43 -51.24 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.556 176.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 45.4 m -56.44 -43.27 79.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.246 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -65.12 -49.78 68.63 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.603 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.7 m -58.39 -37.13 74.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.209 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.52 HG11 HG11 ' A' ' 78' ' ' VAL . 73.9 t -72.2 -52.43 24.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.99 177.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.8 -38.13 84.33 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -176.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -58.8 -49.51 77.43 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.895 0.379 . . . . 0.0 110.053 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 28.5 m -64.25 -39.42 93.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.748 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 74.0 mt -61.76 -44.28 97.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.67 177.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -63.07 -35.31 79.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.67 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.422 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . . . -61.46 -49.41 76.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.222 178.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 39.0 t -70.68 -38.57 73.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.527 0.68 . . . . 0.0 110.032 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -57.84 -39.9 78.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.544 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -72.06 -51.2 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.082 -178.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -57.92 -45.68 86.16 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 123.157 0.285 . . . . 0.0 111.759 -177.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.403 ' HB ' HD12 ' A' ' 7' ' ' LEU . 65.4 mt -64.94 -47.05 89.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.808 0.337 . . . . 0.0 111.027 -179.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.95 -28.48 67.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.058 0.456 . . . . 0.0 110.771 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 50.2 ttm-85 -70.3 -30.84 67.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.233 -179.481 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.426 ' HG ' HD13 ' A' ' 117' ' ' ILE . 40.8 tp . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 110.504 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.491 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 3.1 mm? -68.24 -48.86 63.98 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.24 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -48.7 -42.75 35.96 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.785 0.678 . . . . 0.0 112.441 -173.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 60.3 mtm -63.51 -42.69 98.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.366 . . . . 0.0 110.694 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.455 ' O ' HG13 ' A' ' 14' ' ' ILE . 18.0 m -69.15 -47.34 65.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.341 178.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 16.7 mm-40 -52.18 -44.82 64.85 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.173 0.511 . . . . 0.0 110.616 176.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.444 ' O ' HG22 ' A' ' 16' ' ' VAL . 57.1 tp60 -60.39 -49.46 77.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.838 177.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.466 ' HE3' ' HA ' ' A' ' 51' ' ' ALA . 64.1 mtt -61.1 -38.48 86.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.243 -178.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 10' ' ' THR . 84.3 mt -61.58 -48.89 86.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.825 0.345 . . . . 0.0 110.581 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -61.04 -45.96 92.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.755 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 12' ' ' GLN . 85.5 t -61.65 -48.29 89.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.689 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.22 94.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.131 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -61.19 -51.24 69.83 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.394 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.56 ' HE3' ' N ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -67.78 -29.35 68.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.209 -176.659 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.78 -46.79 71.71 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.955 176.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.45 -38.45 84.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.015 0.436 . . . . 0.0 110.357 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.42 -45.07 92.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.325 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -65.84 -35.82 81.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.227 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -68.78 -36.87 78.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.611 177.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 . . . . . 0 C--O 1.234 0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.755 -178.055 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.461 ' HB3' ' CD ' ' A' ' 42' ' ' PRO . 86.7 tttt . . . . . 0 CA--C 1.536 0.423 0 CA-C-O 119.265 -0.398 . . . . 0.0 110.687 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.461 ' CD ' ' HB3' ' A' ' 41' ' ' LYS . 20.7 Cg_endo -60.33 -47.33 14.76 Favored 'Trans proline' 0 C--N 1.361 1.227 0 C-N-CA 121.647 1.564 . . . . 0.0 112.044 -176.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.28 90.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.53 -48.33 85.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.578 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.97 -42.98 99.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.265 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 7.5 mm-40 -58.37 -51.63 68.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.495 177.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -70.46 -25.72 63.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.358 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -65.23 -52.57 53.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.959 0.409 . . . . 0.0 109.961 176.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.7 -34.56 77.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.101 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 10.8 tp -59.09 -49.64 77.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.92 177.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.466 ' HA ' ' HE3' ' A' ' 13' ' ' MET . . . -62.63 -32.0 72.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.466 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.16 -57.26 9.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.642 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -35.63 81.78 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.9 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -62.29 -49.27 76.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.174 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.31 98.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.741 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.17 -43.82 95.53 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.347 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.49 -37.86 69.15 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.36 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.473 ' HB3' HD11 ' A' ' 75' ' ' ILE . . . -67.96 -45.72 73.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.22 -35.44 77.21 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.842 177.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 64' ' ' VAL . 8.0 tp10 -62.06 -53.67 52.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.944 173.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.6 tp -57.06 -48.67 77.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.66 -174.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.496 HD11 HD12 ' A' ' 75' ' ' ILE . 39.3 pt -68.67 -28.63 40.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -172.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -83.47 -22.31 32.59 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 119.511 -0.876 . . . . 0.0 110.598 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 60' ' ' GLU . 65.0 t -83.23 -43.92 18.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.883 0.373 . . . . 0.0 110.24 177.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -130.87 131.12 44.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.832 176.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -73.82 119.22 75.0 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.355 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -78.69 159.01 28.34 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 123.307 2.671 . . . . 0.0 112.917 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -102.97 -30.58 10.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.185 -176.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -107.23 -57.11 2.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.047 0.451 . . . . 0.0 110.658 -176.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.8 p -75.99 154.21 6.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.5 -176.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -133.57 155.29 49.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.012 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.44 ' HZ2' ' CD ' ' A' ' 76' ' ' GLU . 14.5 tmtt? -56.49 -43.05 79.29 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.716 0.635 . . . . 0.0 110.61 -178.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -60.24 -37.38 80.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.952 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -69.13 -45.16 70.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.765 -176.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.496 HD12 HD11 ' A' ' 62' ' ' ILE . 73.3 mt -57.72 -41.61 79.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.588 -174.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.44 ' CD ' ' HZ2' ' A' ' 72' ' ' LYS . 47.7 mt-10 -71.13 -38.49 72.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.163 0.506 . . . . 0.0 110.35 -178.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.4 -44.42 78.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.826 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.441 HG21 HG21 ' A' ' 109' ' ' THR . 76.7 t -65.5 -39.89 86.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.234 -178.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.41 ' HG3' ' HB1' ' A' ' 51' ' ' ALA . 75.7 tttt -54.37 -43.75 71.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.187 0.518 . . . . 0.0 111.01 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -77.31 -51.49 10.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.135 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -62.23 -25.6 67.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.06 -176.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.461 ' O ' HG22 ' A' ' 86' ' ' VAL . 77.2 t80 -65.08 -49.12 71.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.882 0.373 . . . . 0.0 110.074 176.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 48.3 mt -64.78 -39.6 93.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.393 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.34 -46.72 87.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.478 175.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.4 tt -59.1 -46.14 89.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.545 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 82' ' ' PHE . 84.1 t -56.53 -49.48 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.713 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.0 tp -63.07 -46.62 86.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.256 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.426 HE21 ' HB3' ' A' ' 88' ' ' GLN . 2.4 pt20 -74.36 -16.33 60.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.589 -175.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.6 t -72.34 -32.17 66.26 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.913 0.387 . . . . 0.0 110.611 178.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -78.28 -57.8 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.143 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.5 m -87.79 -12.05 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -172.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 66.0 m170 61.6 38.78 15.2 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.954 0.407 . . . . 0.0 111.039 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -87.2 64.24 8.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.215 0.531 . . . . 0.0 110.058 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.0 tt -178.6 162.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.238 -0.892 . . . . 0.0 108.736 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -98.14 162.62 13.11 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.804 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -56.24 -56.89 15.45 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.205 0.816 . . . . 0.0 113.205 -168.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -64.46 -33.74 76.58 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.697 0.284 . . . . 0.0 111.568 -171.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -76.39 -39.12 54.54 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -60.68 -44.84 96.02 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.964 0.411 . . . . 0.0 109.906 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.424 ' HD2' ' O ' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -60.97 -43.06 99.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.844 178.723 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.48 -51.57 69.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.006 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.431 ' O ' HG22 ' A' ' 106' ' ' VAL . 79.7 mt -60.83 -49.12 85.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.732 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.6 m -56.4 -46.85 79.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.04 -48.63 80.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.695 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.3 t -56.32 -45.34 80.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.897 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.434 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 94.9 t -64.24 -54.01 36.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.34 -42.68 92.07 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.552 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -60.02 -46.72 88.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 0.0 110.2 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.503 ' O ' HG21 ' A' ' 113' ' ' VAL . 41.6 m -65.03 -40.85 95.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.763 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 89.3 mt -60.41 -41.57 94.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.617 0.246 . . . . 0.0 110.671 177.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -61.7 -39.2 90.64 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.262 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.22 -46.46 73.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.352 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 117' ' ' ILE . 61.9 t -68.45 -43.78 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.181 0.515 . . . . 0.0 109.92 -176.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -55.23 -45.69 75.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.313 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -64.08 -52.87 57.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.463 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.41 ' HA ' ' HB3' ' A' ' 119' ' ' ARG . 26.3 mt-10 -67.17 -33.96 76.51 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -172.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 113' ' ' VAL . 68.5 mt -61.44 -42.25 93.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.069 175.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.25 -20.94 39.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.192 0.52 . . . . 0.0 110.651 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 119' ' ' ARG . 18.3 ttm180 -90.48 5.22 48.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.921 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 . . . . . 0 C--O 1.235 0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.498 173.516 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.0 tp . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.8 tp -64.67 -44.51 90.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.751 -177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.427 ' HA ' ' HB2' ' A' ' 11' ' ' GLU . 38.1 mt-10 -63.7 -34.59 78.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.49 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.414 ' HE3' ' HA ' ' A' ' 54' ' ' TRP . 52.5 ttp -62.0 -43.59 98.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.47 ' O ' HG13 ' A' ' 14' ' ' ILE . 23.9 m -69.8 -42.84 73.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.225 176.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.427 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 34.6 mm-40 -53.25 -41.27 65.31 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.455 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.407 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -63.17 -49.53 73.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.767 178.58 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 89.5 mtp -59.81 -41.48 91.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.215 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 10' ' ' THR . 74.5 mt -64.55 -48.96 82.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.838 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.61 -42.13 91.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.165 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 12' ' ' GLN . 88.1 t -61.54 -43.96 97.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 120.817 0.342 . . . . 0.0 110.58 178.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.425 ' HB3' HD23 ' A' ' 107' ' ' LEU . . . -65.5 -40.69 93.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 48.6 mt-10 -62.05 -45.5 93.25 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.971 0.415 . . . . 0.0 110.691 177.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -64.25 -43.9 93.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.833 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.32 -49.03 83.02 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.109 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.517 ' HB3' HG22 ' A' ' 103' ' ' THR . . . -59.94 -47.72 84.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.406 . . . . 0.0 110.76 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.93 -44.57 97.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.31 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.413 ' HA ' ' HD2' ' A' ' 23' ' ' ARG . 10.6 tpt85 -66.69 -39.54 88.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.234 0.54 . . . . 0.0 110.253 -177.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.626 ' HE1' ' HA ' ' A' ' 96' ' ' LYS . 21.6 t80 -68.0 -36.39 79.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.245 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.188 -178.04 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.527 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 57.7 tptt . . . . . 0 CA--C 1.54 0.58 0 CA-C-O 119.486 -0.292 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.527 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 46.4 Cg_endo -67.1 -45.41 3.97 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 121.721 1.614 . . . . 0.0 112.806 -173.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.17 90.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.2 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.89 -47.98 81.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.852 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 49.1 mt-10 -56.71 -46.66 81.14 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.824 0.345 . . . . 0.0 111.228 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 7.3 mm-40 -61.63 -52.93 62.33 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.058 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -76.28 -25.98 55.45 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -172.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.563 ' HA ' HD22 ' A' ' 83' ' ' LEU . 36.6 t70 -61.95 -50.45 72.07 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 175.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -47.65 83.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.919 172.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 6.5 tp -55.2 -52.18 64.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.54 -176.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.57 -40.09 94.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.519 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.95 -43.91 86.58 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.162 0.506 . . . . 0.0 110.752 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' A' ' 53' ' ' ARG . 4.2 ttt85 -65.89 -41.97 90.88 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.466 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.414 ' HA ' ' HE3' ' A' ' 9' ' ' MET . 83.1 t90 -61.1 -48.59 80.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.484 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.8 -45.91 85.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -59.48 -46.88 87.52 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.544 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.04 -40.83 83.36 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.376 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.34 96.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.647 0.261 . . . . 0.0 111.047 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.402 HD21 ' HA ' ' A' ' 59' ' ' LEU . 30.4 mt -60.78 -38.01 83.84 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.993 177.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -68.92 -40.97 78.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.051 0.453 . . . . 0.0 109.832 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.85 -50.9 71.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.413 -178.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 34.8 pt -72.52 -18.05 18.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.949 0.404 . . . . 0.0 111.432 -177.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -81.96 -50.43 9.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.933 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.9 t -83.55 -37.25 13.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.573 -174.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.423 ' HE ' ' CD ' ' A' ' 120' ' ' GLU . 30.0 tpt180 -100.53 -99.83 0.25 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.171 -176.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -155.34 134.62 7.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 -172.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -92.32 104.02 0.2 Allowed 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.799 2.333 . . . . 0.0 110.565 168.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.627 ' HE3' ' OE1' ' A' ' 116' ' ' GLU . 8.3 mtmt -93.8 -58.12 2.35 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.473 -174.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.482 ' CB ' ' HB3' ' A' ' 112' ' ' ALA . 71.2 m-85 -105.36 -54.0 2.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.281 0.562 . . . . 0.0 109.745 178.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.8 p -74.03 154.09 6.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.918 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -123.99 164.91 18.39 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -57.3 -38.92 74.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.373 . . . . 0.0 110.27 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -59.5 -44.62 93.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.644 177.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.409 ' O ' HG22 ' A' ' 78' ' ' VAL . 14.9 mm100 -66.93 -37.07 83.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.838 -175.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.3 mm -58.25 -45.01 89.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.919 0.39 . . . . 0.0 110.971 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -72.27 -29.78 64.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.453 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.01 -47.79 60.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.702 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.51 HG11 HG11 ' A' ' 106' ' ' VAL . 98.4 t -61.47 -41.56 90.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.683 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.7 tttm -52.8 -54.27 36.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.799 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.59 -38.47 54.79 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.436 -175.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -66.51 -33.92 76.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.253 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -64.23 -36.68 84.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.914 0.387 . . . . 0.0 110.516 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.563 HD22 ' HA ' ' A' ' 48' ' ' ASP . 58.8 mt -65.23 -48.87 71.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.204 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 46.2 mt-10 -61.17 -40.68 94.79 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.211 177.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.514 HD13 HG23 ' A' ' 103' ' ' THR . 6.7 tt -52.56 -53.45 46.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.702 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 68.3 t -60.23 -46.08 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.011 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.2 tp -63.73 -52.08 62.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.686 -176.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 4.6 pt20 -71.75 -18.81 62.11 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.466 -174.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.8 t -66.13 -40.81 90.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.319 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -80.31 -49.73 11.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.448 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.406 HG21 ' HA ' ' A' ' 88' ' ' GLN . 31.6 m -73.93 -21.53 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.332 -0.395 . . . . 0.0 112.035 -174.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 38.0 m80 56.46 56.12 5.94 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.319 0.58 . . . . 0.0 110.188 -178.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -74.03 -11.98 60.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.679 -175.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.686 HD11 ' HB2' ' A' ' 98' ' ' ARG . 10.6 pt -132.52 -178.36 2.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.333 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -80.64 -70.38 0.53 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.702 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.626 ' HA ' ' HE1' ' A' ' 24' ' ' TYR . 38.4 ttmt -162.6 -60.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -173.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -52.74 -47.6 67.3 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -169.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.686 ' HB2' HD11 ' A' ' 94' ' ' ILE . 42.5 mtp180 -60.79 -40.41 92.55 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.952 -175.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.515 ' HB2' HD12 ' A' ' 94' ' ' ILE . 85.6 t80 -69.33 -44.52 71.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.067 0.461 . . . . 0.0 110.245 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -58.45 -47.93 82.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.485 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -58.95 -52.47 65.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.92 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.458 ' O ' HG22 ' A' ' 106' ' ' VAL . 82.8 mt -57.83 -51.57 68.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.993 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.517 HG22 ' HB3' ' A' ' 21' ' ' ALA . 27.1 m -60.6 -42.09 96.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.961 0.41 . . . . 0.0 111.186 -176.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -66.61 -43.26 85.25 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.305 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.1 m -60.76 -38.65 85.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.742 177.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.51 HG11 HG11 ' A' ' 78' ' ' VAL . 88.1 t -66.65 -51.17 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.831 176.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.425 HD23 ' HB3' ' A' ' 17' ' ' ALA . 67.3 mt -57.01 -45.12 83.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.765 0.317 . . . . 0.0 111.178 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -55.37 -43.52 75.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.592 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.1 m -74.36 -35.31 63.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.171 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 83.3 mt -63.49 -42.19 98.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.793 0.33 . . . . 0.0 110.882 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -67.9 -30.38 69.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.404 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.482 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . . . -62.53 -49.03 76.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.456 177.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 117' ' ' ILE . 47.5 t -63.5 -47.37 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.117 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -56.72 -47.15 80.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.488 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.01 -46.77 88.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.257 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.627 ' OE1' ' HE3' ' A' ' 68' ' ' LYS . 13.6 pt-20 -72.3 -25.99 61.79 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -176.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 113' ' ' VAL . 85.0 mt -67.24 -53.06 36.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.963 0.411 . . . . 0.0 110.298 172.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.27 -31.34 72.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.323 0.582 . . . . 0.0 110.679 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 52.1 ttm-85 -63.21 -33.69 76.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.307 177.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.423 ' CD ' ' HE ' ' A' ' 65' ' ' ARG . 3.4 tp10 . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.359 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.9 tp . . . . . 0 C--O 1.232 0.174 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.495 HD11 ' HG3' ' A' ' 114' ' ' LYS . 58.9 tp -62.79 -36.51 83.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.731 -178.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.465 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 26.0 mp0 -60.9 -31.35 70.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.82 -177.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 54' ' ' TRP . 52.2 ttp -68.34 -42.19 79.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.036 0.446 . . . . 0.0 110.049 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.488 ' O ' HG13 ' A' ' 14' ' ' ILE . 52.2 m -65.64 -43.78 88.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.052 175.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -63.58 -35.6 81.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.012 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -61.28 -45.28 95.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.461 175.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.566 ' SD ' HD21 ' A' ' 110' ' ' LEU . 49.4 ttm -64.6 -38.02 89.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.374 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 10' ' ' THR . 76.7 mt -57.86 -51.11 74.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 121.184 0.516 . . . . 0.0 110.41 176.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.465 ' CD ' ' HZ3' ' A' ' 19' ' ' LYS . 3.7 tp10 -59.35 -51.15 71.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.634 -178.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.9 t -60.69 -43.89 95.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.67 0.272 . . . . 0.0 110.907 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.82 -45.87 80.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.749 0.309 . . . . 0.0 111.063 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -69.44 -36.18 76.38 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.465 ' HZ3' ' CD ' ' A' ' 15' ' ' GLU . 37.3 mttp -79.11 -26.43 42.92 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.577 178.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.19 -43.43 93.1 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 171.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -66.53 -38.01 86.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.521 -0.339 . . . . 0.0 110.538 174.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.59 -43.27 93.72 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.774 177.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -58.1 -47.0 84.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.899 175.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -58.24 -40.13 80.92 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.904 176.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 74.7 mt-30 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.191 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 27.5 tptp . . . . . 0 CA--C 1.535 0.37 0 CA-C-O 119.515 -0.278 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.49 ' CD ' ' HB3' ' A' ' 41' ' ' LYS . 30.2 Cg_endo -63.48 -41.4 26.12 Favored 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 121.836 1.69 . . . . 0.0 111.795 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.12 -37.27 69.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.859 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.0 t -59.54 -40.52 82.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.787 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 73.0 mm-40 -56.07 -44.51 79.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.317 0.58 . . . . 0.0 110.807 177.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -70.25 -46.64 64.02 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.164 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -54.88 -49.39 71.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.536 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -56.5 -53.98 51.15 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.543 0.527 . . . . 0.0 110.865 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.31 -41.21 88.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.243 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 tp -61.5 -52.95 62.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.627 -178.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.63 -42.14 99.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.767 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.37 -46.03 81.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.903 0.382 . . . . 0.0 111.211 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -36.36 78.48 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.725 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.465 ' HA ' ' CE ' ' A' ' 9' ' ' MET . 69.7 t90 -61.93 -43.05 99.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.406 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.93 -45.45 82.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.523 177.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -58.24 -48.12 81.41 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.236 177.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.24 -43.91 98.78 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.682 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.79 -44.6 80.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.969 0.414 . . . . 0.0 110.982 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 61.4 mt -63.2 -35.03 78.95 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.059 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.618 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 8.5 tp10 -55.19 -51.14 67.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.871 176.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.06 -39.77 94.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.881 -176.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.473 HG22 ' CG ' ' A' ' 67' ' ' PRO . 23.0 pt -72.77 -26.71 23.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -174.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 5.6 ptmm? -81.39 -28.89 34.16 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.922 0.391 . . . . 0.0 110.421 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 60' ' ' GLU . 95.6 t -82.22 -40.51 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.288 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -149.72 -175.16 4.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.768 0.318 . . . . 0.0 111.304 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -96.89 120.62 61.28 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.442 -178.141 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.473 ' CG ' HG22 ' A' ' 62' ' ' ILE . 2.0 Cg_endo -82.14 162.17 17.86 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.124 2.549 . . . . 0.0 111.077 173.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.569 ' HZ1' ' HB2' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -105.63 -48.8 3.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.673 0.273 . . . . 0.0 111.334 -176.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -92.98 -53.11 4.28 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -174.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.98 149.24 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.984 0.421 . . . . 0.0 111.636 -171.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -131.89 155.41 47.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.149 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -60.47 -44.06 96.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.731 -176.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -56.14 -35.09 66.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.042 0.448 . . . . 0.0 111.124 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.529 ' O ' HG23 ' A' ' 78' ' ' VAL . 13.8 mm-40 -70.15 -46.36 64.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.192 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.0 mt -58.17 -41.28 80.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.599 -177.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -73.02 -26.65 61.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.035 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.48 -42.04 26.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.154 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 74' ' ' GLN . 82.0 t -54.79 -38.34 43.7 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.178 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.86 -176.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -56.75 -51.52 68.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.893 0.378 . . . . 0.0 111.273 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -76.2 -43.01 44.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.361 -176.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.502 ' HB3' HG23 ' A' ' 102' ' ' ILE . 5.7 m-20 -58.78 -37.27 75.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.22 178.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -62.91 -47.53 82.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.807 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.73 -44.53 96.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.609 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 15.3 mm-40 -63.77 -45.41 89.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.849 176.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.4 tt -52.92 -52.64 57.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.471 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.2 t -62.3 -46.7 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.912 0.387 . . . . 0.0 110.847 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.488 ' O ' HG23 ' A' ' 91' ' ' VAL . 59.6 tp -59.51 -54.07 50.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.341 -177.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 26.7 pt20 -83.22 1.01 42.87 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -174.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.9 t -69.74 -27.34 64.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 175.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -104.61 -50.92 3.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.278 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 87' ' ' LEU . 29.6 m -77.69 -33.75 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -176.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 57.27 89.93 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -113.47 30.5 7.17 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.982 0.42 . . . . 0.0 111.509 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.457 HD12 ' HB2' ' A' ' 99' ' ' PHE . 18.0 pt -136.21 -177.92 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.708 176.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -93.65 -76.55 0.47 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.055 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -148.97 -66.63 0.23 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -177.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -51.34 -45.37 62.29 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -170.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.57 -27.25 68.82 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -172.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.457 ' HB2' HD12 ' A' ' 94' ' ' ILE . 48.9 t80 -69.6 -44.23 71.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.154 0.502 . . . . 0.0 109.814 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -71.5 -39.83 70.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.278 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.68 -51.38 67.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.106 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.502 HG23 ' HB3' ' A' ' 81' ' ' ASN . 62.9 mt -58.29 -47.24 88.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.781 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 58.0 m -57.66 -46.15 84.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 0.0 110.734 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -62.73 -51.44 67.15 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.03 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.4 t -58.87 -39.49 81.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -176.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.516 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 92.4 t -68.56 -53.95 24.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.85 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.41 -38.17 83.2 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.56 0.208 . . . . 0.0 111.56 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -60.76 -43.58 97.83 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.473 ' O ' HG22 ' A' ' 113' ' ' VAL . 38.5 m -67.43 -39.49 85.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.542 176.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.566 HD21 ' SD ' ' A' ' 13' ' ' MET . 97.0 mt -61.79 -44.1 97.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.032 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -62.17 -38.45 89.12 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.414 0.625 . . . . 0.0 109.686 176.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.536 ' O ' ' HG2' ' A' ' 116' ' ' GLU . . . -63.19 -44.96 93.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.056 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 109' ' ' THR . 95.5 t -72.64 -32.76 42.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.19 -177.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.495 ' HG3' HD11 ' A' ' 7' ' ' LEU . 60.3 tttt -55.36 -46.74 76.45 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.457 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.84 -45.68 85.08 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.99 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 112' ' ' ALA . 64.0 mm-40 -56.66 -48.19 78.14 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 123.394 0.434 . . . . 0.0 110.848 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.442 HG23 ' HB2' ' A' ' 7' ' ' LEU . 76.2 mt -61.43 -45.7 98.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.765 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.37 -16.43 61.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -88.24 -20.01 26.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.565 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.963 173.941 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.474 ' HG ' HD11 ' A' ' 117' ' ' ILE . 51.2 tp . . . . . 0 CA--C 1.528 0.125 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.1 tp -69.23 -53.27 20.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.989 -177.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.37 -38.43 91.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.455 -176.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.428 ' HE2' ' HA ' ' A' ' 54' ' ' TRP . 44.8 ttp -61.22 -38.51 86.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.962 0.41 . . . . 0.0 110.081 177.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.553 ' O ' HG13 ' A' ' 14' ' ' ILE . 37.1 m -69.78 -49.5 52.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.317 176.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.492 ' CD ' ' HZ1' ' A' ' 114' ' ' LYS . 5.6 mm-40 -53.26 -45.39 68.78 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.435 178.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.435 ' O ' HG23 ' A' ' 16' ' ' VAL . 57.0 tp60 -58.57 -48.51 80.66 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.28 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 50.3 ttm -62.97 -39.21 94.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.95 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.879 HG12 ' HB3' ' A' ' 110' ' ' LEU . 63.6 mt -65.66 -48.5 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.955 0.407 . . . . 0.0 110.215 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.474 ' HG2' ' HD2' ' A' ' 19' ' ' LYS . 41.4 tt0 -66.74 -37.06 83.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.722 -177.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 12' ' ' GLN . 53.5 t -64.5 -34.48 69.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.87 0.367 . . . . 0.0 110.609 176.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.432 ' HB3' HD22 ' A' ' 107' ' ' LEU . . . -74.63 -46.47 38.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.046 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -67.02 -41.17 87.07 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.701 0.286 . . . . 0.0 111.092 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HD2' ' HG2' ' A' ' 15' ' ' GLU . 56.1 mttm -74.65 -18.13 60.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.322 174.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.31 -47.95 55.05 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.062 -0.59 . . . . 0.0 111.751 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.409 ' HA ' ' HE2' ' A' ' 99' ' ' PHE . . . -62.83 -40.0 96.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.288 0.566 . . . . 0.0 110.176 176.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.08 -46.24 89.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.82 176.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -69.82 -29.58 66.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.779 -178.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -65.99 -34.75 78.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.966 0.412 . . . . 0.0 110.362 175.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 . . . . . 0 C--N 1.328 -0.341 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.548 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.564 ' HB2' ' HD3' ' A' ' 42' ' ' PRO . 9.7 mtpm? . . . . . 0 CA--C 1.537 0.47 0 CA-C-O 119.509 -0.281 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.564 ' HD3' ' HB2' ' A' ' 41' ' ' LYS . 12.8 Cg_exo -69.65 -46.45 1.27 Allowed 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 121.905 1.737 . . . . 0.0 112.213 -175.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.82 -39.15 80.33 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.14 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.3 t -63.96 -45.65 96.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.723 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 43.2 mt-10 -64.58 -47.86 77.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.391 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -61.49 -49.46 76.66 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.93 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -63.03 -37.94 89.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.812 -177.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.572 ' HA ' HD22 ' A' ' 83' ' ' LEU . 24.3 t70 -62.33 -50.67 70.7 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.111 176.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -53.66 -49.3 68.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.679 173.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.5 tp -57.79 -49.57 76.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.621 -177.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.49 -44.45 95.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.454 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.56 -40.82 84.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.882 0.373 . . . . 0.0 111.27 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -74.09 -37.38 64.2 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.271 -177.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.428 ' HA ' ' HE2' ' A' ' 9' ' ' MET . 50.6 t90 -63.3 -45.53 90.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.076 0.465 . . . . 0.0 110.162 177.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . 0.471 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -59.34 -48.88 79.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.816 178.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -57.45 -46.51 83.52 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.93 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.16 -41.08 98.52 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.345 179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.417 ' HB2' HD11 ' A' ' 75' ' ' ILE . . . -65.14 -34.43 78.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 178.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 83.6 mt -63.69 -38.91 92.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 177.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -61.42 -44.62 96.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.783 176.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.86 -50.54 73.01 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.075 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.732 HG23 ' HG3' ' A' ' 67' ' ' PRO . 37.9 pt -69.85 -18.43 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 111.835 -176.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -83.13 -28.06 29.69 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.999 0.428 . . . . 0.0 110.564 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.51 HG11 ' HG3' ' A' ' 65' ' ' ARG . 71.1 t -92.4 -50.29 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.092 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.51 ' HG3' HG11 ' A' ' 64' ' ' VAL . 52.3 mtp85 -124.58 -174.59 3.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.556 -174.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.46 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 79.9 mtt180 -109.53 137.06 20.23 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 120.688 0.28 . . . . 0.0 111.295 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.732 ' HG3' HG23 ' A' ' 62' ' ' ILE . 2.9 Cg_exo -75.59 168.32 24.65 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.771 2.314 . . . . 0.0 111.236 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -112.18 -35.14 5.72 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.57 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -126.34 -60.75 1.25 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.506 -177.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 p -54.98 144.71 5.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-O 121.367 0.603 . . . . 0.0 112.198 -178.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -113.79 148.24 36.92 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.657 ' HE2' HD12 ' A' ' 62' ' ' ILE . 16.4 ptpt -62.84 -39.0 93.01 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -170.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -67.62 -29.95 69.4 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.227 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.511 ' O ' HG21 ' A' ' 78' ' ' VAL . 15.2 mm-40 -61.77 -36.12 80.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.206 177.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.417 HD11 ' HB2' ' A' ' 58' ' ' ALA . 68.4 mt -63.61 -41.44 92.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.781 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.99 -34.74 75.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.34 178.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.46 -43.86 84.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.635 178.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.511 HG21 ' O ' ' A' ' 74' ' ' GLN . 79.8 t -56.46 -43.53 78.1 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.067 179.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -55.81 -48.96 74.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.701 0.286 . . . . 0.0 111.404 -178.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -71.9 -42.02 67.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.981 0.419 . . . . 0.0 110.665 -178.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -68.99 -33.73 74.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.889 -177.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -65.85 -39.85 91.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.089 0.471 . . . . 0.0 110.234 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.572 HD22 ' HA ' ' A' ' 48' ' ' ASP . 91.3 mt -67.17 -36.23 81.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.464 177.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 22.5 tt0 -73.96 -32.58 63.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.348 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.5 tt -55.8 -51.27 68.04 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.903 175.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.0 t -60.61 -41.82 89.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.3 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.604 ' O ' HG23 ' A' ' 91' ' ' VAL . 49.6 tp -58.61 -59.32 5.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.099 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.525 ' HB3' ' HB ' ' A' ' 94' ' ' ILE . 96.6 mt-30 -52.06 -43.11 63.65 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.486 0.491 . . . . 0.0 111.333 -176.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.7 m -58.82 -55.73 31.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.625 -176.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -80.3 -33.94 37.23 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -170.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 87' ' ' LEU . 14.7 m -88.27 -6.83 10.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.882 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 39.4 m80 58.7 30.69 20.29 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.589 176.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -83.16 -7.2 59.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.337 0.589 . . . . 0.0 110.293 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.833 HD11 ' HB2' ' A' ' 98' ' ' ARG . 10.5 tp -96.93 144.76 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.381 175.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -82.64 -71.98 0.47 Allowed 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.526 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.608 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -150.67 -75.73 0.15 Allowed 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -177.309 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -58.13 -55.83 29.94 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -169.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.833 ' HB2' HD11 ' A' ' 94' ' ' ILE . 69.1 mtt180 -53.19 -39.76 63.89 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -168.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.661 ' HB2' HG12 ' A' ' 94' ' ' ILE . 71.0 t80 -58.87 -53.71 55.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.796 0.331 . . . . 0.0 111.354 -177.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -67.18 -35.15 79.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.375 -175.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -67.55 -46.92 71.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.712 0.292 . . . . 0.0 110.663 177.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 98' ' ' ARG . 79.7 mt -57.28 -46.84 85.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.129 175.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.426 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 38.3 m -55.84 -49.6 72.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 176.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -62.42 -37.87 87.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.032 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.2 t -63.83 -38.89 92.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.947 0.403 . . . . 0.0 110.17 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.6 t -71.9 -44.31 67.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.128 176.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.432 HD22 ' HB3' ' A' ' 17' ' ' ALA . 90.9 mt -59.21 -39.15 81.76 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.481 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -55.22 -46.06 75.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.119 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.504 ' O ' HG22 ' A' ' 113' ' ' VAL . 24.3 m -69.55 -43.49 72.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.83 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.879 ' HB3' HG12 ' A' ' 14' ' ' ILE . 90.6 mt -60.88 -43.15 98.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.694 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -70.75 -28.14 64.47 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.023 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.44 -49.45 66.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 174.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 109' ' ' THR . 52.9 t -62.24 -43.55 98.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.177 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.492 ' HZ1' ' CD ' ' A' ' 11' ' ' GLU . 79.1 tttt -57.3 -43.97 83.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.076 178.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -60.29 -48.6 81.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.696 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.13 -42.37 99.17 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.398 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 113' ' ' VAL . 78.6 mt -61.87 -48.28 89.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 120.806 0.336 . . . . 0.0 110.752 177.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.97 -31.38 72.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.225 0.536 . . . . 0.0 110.371 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 119' ' ' ARG . 0.0 OUTLIER -67.95 -50.07 58.07 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.383 175.622 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.444 ' OE1' ' HA ' ' A' ' 120' ' ' GLU . 4.9 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.6 tp . . . . . 0 C--O 1.234 0.272 0 CA-C-O 121.243 0.544 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.6 tp -68.99 -40.96 78.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.257 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -55.38 -44.76 76.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.189 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 71.6 mtm -63.11 -40.49 97.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.713 0.292 . . . . 0.0 110.603 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.445 ' O ' HG13 ' A' ' 14' ' ' ILE . 20.2 m -65.06 -48.84 72.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.993 0.425 . . . . 0.0 110.08 177.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -55.6 -44.98 77.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.734 177.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.457 ' O ' HG22 ' A' ' 16' ' ' VAL . 63.3 tt0 -64.78 -42.83 94.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.099 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 56.3 mtt -60.1 -40.56 90.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.044 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 10' ' ' THR . 69.0 mt -60.0 -46.35 94.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.022 0.439 . . . . 0.0 110.207 176.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -65.26 -41.36 94.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.099 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 12' ' ' GLN . 55.0 t -58.98 -43.18 88.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.793 0.33 . . . . 0.0 110.506 178.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.96 -48.53 79.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.785 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -62.06 -42.71 99.47 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.823 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -64.43 -45.72 86.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.703 0.287 . . . . 0.0 110.661 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.92 -37.46 94.96 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.496 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.55 ' HA ' ' CZ ' ' A' ' 99' ' ' PHE . . . -60.87 -47.32 86.94 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.078 0.466 . . . . 0.0 111.046 178.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -70.7 -40.9 72.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.317 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -60.32 -43.06 96.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.975 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.431 ' HE1' ' CD2' ' A' ' 92' ' ' HIS . 88.2 t80 -63.11 -34.64 78.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.495 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.391 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.523 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 64.1 tttp . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.523 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 58.7 Cg_endo -71.41 -17.8 30.23 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.798 1.666 . . . . 0.0 112.816 -174.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.51 -34.81 74.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.56 -53.3 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.59 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -56.21 -43.63 78.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.637 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -60.81 -58.99 6.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.494 0.664 . . . . 0.0 110.98 -179.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -67.73 -25.55 65.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.789 -175.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -65.85 -48.6 71.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 173.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -57.15 -48.16 79.4 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.516 174.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.08 -49.41 78.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.079 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.88 94.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.713 0.292 . . . . 0.0 111.455 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 56' ' ' GLU . . . -62.22 -51.45 67.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.561 178.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.548 HH21 ' CD ' ' A' ' 56' ' ' GLU . 2.2 mmp_? -63.18 -38.78 92.5 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.562 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 46.5 t90 -66.2 -44.43 83.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.248 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.46 95.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.359 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.548 ' CD ' HH21 ' A' ' 53' ' ' ARG . 49.0 mt-10 -60.54 -43.07 97.58 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.175 178.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.91 -44.39 55.8 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.608 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.424 ' O ' HG12 ' A' ' 62' ' ' ILE . . . -61.22 -47.04 87.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.795 0.331 . . . . 0.0 110.464 179.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.79 HD21 HD12 ' A' ' 62' ' ' ILE . 28.4 mt -61.27 -34.45 75.21 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.387 179.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -59.43 -53.64 55.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.008 0.432 . . . . 0.0 110.589 176.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.2 mp -68.28 -37.32 80.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.18 -175.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.79 HD12 HD21 ' A' ' 59' ' ' LEU . 34.9 pt -81.63 -13.25 12.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.607 -176.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -81.83 -39.18 24.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.988 0.423 . . . . 0.0 110.013 174.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.4 t -75.62 -40.5 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.446 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.7 mtp-105 -102.58 -163.09 0.97 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.583 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.408 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -121.2 125.99 26.74 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.514 170.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.719 ' HG3' ' HB ' ' A' ' 62' ' ' ILE . 36.1 Cg_exo -59.44 111.86 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.872 2.381 . . . . 0.0 111.744 179.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.653 ' HZ1' ' HB2' ' A' ' 68' ' ' LYS . 4.7 ttmp? -70.54 -72.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.171 -175.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.509 ' HB2' ' HB3' ' A' ' 112' ' ' ALA . 9.4 m-85 -86.42 -61.08 1.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.277 0.56 . . . . 0.0 110.56 -178.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.409 ' CG2' HG21 ' A' ' 109' ' ' THR . 8.0 p -65.83 143.41 15.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.679 -173.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -95.34 145.42 25.12 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 175.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 72' ' ' LYS . 0.5 OUTLIER -60.61 -39.28 87.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.255 0.55 . . . . 0.0 109.92 -177.629 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -62.13 -29.38 70.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.042 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.518 ' O ' HG23 ' A' ' 78' ' ' VAL . 52.1 mt-30 -68.11 -43.89 77.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.634 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 71.3 mt -58.35 -40.55 78.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.02 -37.39 84.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.071 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.21 -35.29 61.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.998 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 74' ' ' GLN . 75.5 t -58.87 -36.32 60.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -53.19 -51.6 61.54 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.98 0.419 . . . . 0.0 110.876 178.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -74.92 -43.88 51.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.65 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.27 -31.37 71.19 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.222 0.326 . . . . 0.0 111.668 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -66.43 -49.8 65.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.204 0.526 . . . . 0.0 110.229 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 97.0 mt -66.7 -34.81 78.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.28 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.576 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 9.9 tp10 -60.71 -45.94 92.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.028 175.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.3 tt -52.51 -45.35 66.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.916 0.388 . . . . 0.0 110.013 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 47.4 t -65.87 -44.99 92.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.806 176.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.414 ' O ' HG21 ' A' ' 91' ' ' VAL . 59.2 tp -64.28 -53.67 45.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.188 -176.162 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 1.2 pp0? -69.58 -9.48 54.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.707 0.289 . . . . 0.0 111.489 -177.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.9 t -72.73 -21.96 60.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.535 0.684 . . . . 0.0 109.215 175.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -104.52 -53.94 2.61 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.056 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 87' ' ' LEU . 27.1 m -74.28 -21.16 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -176.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.431 ' CD2' ' HE1' ' A' ' 24' ' ' TYR . 49.1 m170 60.8 32.44 20.14 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 172.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.25 58.41 4.46 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.633 0.73 . . . . 0.0 111.255 -179.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.807 HG21 ' HD3' ' A' ' 98' ' ' ARG . 39.0 pt -140.68 -178.67 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.048 -178.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -131.97 69.7 1.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.658 0.266 . . . . 0.0 110.88 175.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.1 tptm 61.45 -76.53 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.988 0.915 . . . . 0.0 112.815 176.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -61.77 -29.08 69.9 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 122.685 0.394 . . . . 0.0 111.234 -172.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.807 ' HD3' HG21 ' A' ' 94' ' ' ILE . 64.9 ttt180 -60.31 -30.89 69.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.279 -177.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.55 ' CZ ' ' HA ' ' A' ' 21' ' ' ALA . 77.8 t80 -64.09 -48.42 76.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.943 0.402 . . . . 0.0 110.505 -179.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -66.73 -34.63 78.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.513 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -59.45 -50.83 72.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.399 177.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 77.0 mt -61.94 -45.87 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.76 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.0 m -57.99 -50.44 73.38 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.562 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -45.51 93.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.902 -178.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.5 m -56.05 -41.62 75.33 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.781 0.324 . . . . 0.0 111.264 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.408 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 89.5 t -70.2 -51.39 39.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.986 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.489 HD22 HD13 ' A' ' 110' ' ' LEU . 52.5 mt -62.39 -37.5 86.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.775 -177.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -55.79 -47.49 76.99 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.199 0.524 . . . . 0.0 110.521 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.489 HG23 HG22 ' A' ' 78' ' ' VAL . 91.5 m -67.56 -42.61 82.34 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.07 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.489 HD13 HD22 ' A' ' 107' ' ' LEU . 96.0 mt -58.77 -39.94 82.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -64.97 -37.71 88.56 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.991 0.424 . . . . 0.0 110.599 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.509 ' HB3' ' HB2' ' A' ' 69' ' ' TYR . . . -68.03 -38.39 82.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.278 -177.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.3 t -74.92 -41.58 46.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.213 0.53 . . . . 0.0 110.335 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -56.21 -42.6 77.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.883 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.94 -41.4 87.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.85 -41.04 99.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.435 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 68.8 mt -61.23 -44.15 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.946 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.64 -30.91 68.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 25.6 ttm105 -66.81 -49.25 66.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.254 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 . . . . . 0 C--N 1.324 -0.515 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -175.92 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 26.1 tp . . . . . 0 CA--C 1.532 0.268 0 CA-C-O 120.919 0.39 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.464 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 49.8 tp -77.3 -47.5 19.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.43 -173.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . 0.46 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 1.0 OUTLIER -56.52 -42.8 79.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.979 0.419 . . . . 0.0 110.757 -176.9 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.544 ' SD ' ' HD2' ' A' ' 53' ' ' ARG . 49.5 ttp -57.99 -41.79 83.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.721 177.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.487 ' O ' HG13 ' A' ' 14' ' ' ILE . 24.8 m -67.1 -45.19 77.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.95 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 30.7 mm-40 -57.12 -44.13 83.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.209 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.467 ' O ' HG22 ' A' ' 16' ' ' VAL . 53.0 tt0 -61.45 -42.06 98.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.569 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.53 ' SD ' HD23 ' A' ' 110' ' ' LEU . 49.0 ttm -66.54 -38.54 87.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.55 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 10' ' ' THR . 77.8 mt -63.02 -49.8 82.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.445 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -58.75 -43.33 90.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.485 -177.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 12' ' ' GLN . 94.3 t -61.73 -44.64 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.036 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.88 -47.95 73.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.728 0.299 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.3 -44.3 95.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.601 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -74.77 -37.52 62.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.453 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.06 -41.41 95.15 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.382 -0.914 . . . . 0.0 112.372 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.529 ' HA ' ' CE2' ' A' ' 99' ' ' PHE . . . -64.53 -45.18 88.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.969 0.414 . . . . 0.0 110.939 178.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -69.34 -40.57 77.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.934 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -65.54 -35.96 82.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.918 0.389 . . . . 0.0 110.651 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.526 ' HE1' ' HD2' ' A' ' 92' ' ' HIS . 45.4 t80 -71.1 -34.5 71.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.172 0.511 . . . . 0.0 109.924 178.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.836 178.574 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.599 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 63.0 tttp . . . . . 0 CA--C 1.538 0.515 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.414 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.477 ' CD ' ' HB3' ' A' ' 41' ' ' LYS . 16.3 Cg_endo -57.19 -31.91 91.96 Favored 'Trans proline' 0 C--N 1.364 1.375 0 C-N-CA 122.282 1.988 . . . . 0.0 112.829 -175.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.55 -46.84 68.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.243 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.4 t -63.15 -40.27 88.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.697 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 5.3 mm-40 -56.72 -49.02 76.42 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.237 0.541 . . . . 0.0 109.968 177.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 55.1 mm-40 -60.84 -49.41 77.61 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.039 176.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -58.82 -44.39 90.83 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -59.66 -55.04 39.42 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.209 0.318 . . . . 0.0 110.764 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -61.93 -39.83 93.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.046 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 12.8 tp -64.39 -53.74 43.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.498 -176.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.5 86.78 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.045 -177.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.755 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . . . -64.87 -56.85 10.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.562 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.544 ' HD2' ' SD ' ' A' ' 9' ' ' MET . 1.8 tmt_? -65.87 -33.25 75.41 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.077 -177.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.516 ' HA ' ' CE ' ' A' ' 9' ' ' MET . 59.0 t90 -66.43 -49.24 67.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.626 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.75 -45.2 90.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.247 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -60.35 -41.74 94.28 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.418 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.72 -43.36 67.7 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.736 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.12 -43.06 96.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.903 0.382 . . . . 0.0 110.779 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.45 HD22 HD12 ' A' ' 62' ' ' ILE . 52.0 mt -61.61 -37.56 84.36 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.849 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.411 ' O ' HG21 ' A' ' 64' ' ' VAL . 17.4 tp10 -54.98 -51.9 64.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.074 177.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 61' ' ' LEU . 4.1 mm? -63.74 -46.49 85.13 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -176.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.45 HD12 HD22 ' A' ' 59' ' ' LEU . 35.6 pt -72.53 -17.58 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.906 0.384 . . . . 0.0 111.154 -177.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -78.19 -42.84 30.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.338 177.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 60' ' ' GLU . 93.4 t -74.0 -48.48 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.669 -177.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -99.6 -78.83 0.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.781 0.324 . . . . 0.0 111.04 -178.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.723 ' HG2' ' HD2' ' A' ' 67' ' ' PRO . 3.2 ttm180 -174.3 157.25 2.48 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -178.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.723 ' HD2' ' HG2' ' A' ' 66' ' ' ARG . 15.2 Cg_exo -70.94 106.54 1.9 Allowed 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 121.746 1.631 . . . . 0.0 112.082 172.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.39 124.27 35.45 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 176.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 66.32 -70.81 0.1 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.769 0.668 . . . . 0.0 111.661 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.1 p -76.57 147.5 7.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.605 0.717 . . . . 0.0 111.661 -173.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -97.54 145.97 25.72 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 173.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.72 ' HZ1' ' HB2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -58.5 -34.4 70.89 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.296 0.498 . . . . 0.0 111.773 -173.334 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -66.95 -29.16 68.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.738 0.304 . . . . 0.0 110.962 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -67.37 -39.04 85.64 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 65.6 mt -63.02 -43.02 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.027 176.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.19 -43.06 87.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.59 177.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.17 -50.83 59.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.184 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.464 HG11 HG12 ' A' ' 106' ' ' VAL . 65.8 t -58.19 -38.35 67.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.339 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.755 ' HE3' ' HA ' ' A' ' 52' ' ' ALA . 87.4 tttt -57.21 -43.44 82.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.808 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.22 -45.1 27.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.615 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -56.69 -38.95 72.97 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.316 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -60.81 -45.93 92.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.864 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.29 -42.76 83.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.774 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -61.7 -43.19 99.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.526 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.9 tt -55.13 -53.35 57.05 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.461 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.1 t -61.66 -47.97 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.35 -48.17 82.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.494 -177.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.475 ' HA ' HG21 ' A' ' 91' ' ' VAL . 28.2 mm-40 -73.08 -19.5 61.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.586 -175.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.8 t -69.16 -50.55 46.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.342 . . . . 0.0 110.283 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -65.42 -39.02 91.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.463 -178.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.475 HG21 ' HA ' ' A' ' 88' ' ' GLN . 23.5 m -83.14 -8.36 11.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.34 -178.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.526 ' HD2' ' HE1' ' A' ' 24' ' ' TYR . 39.2 m80 62.73 33.0 15.81 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.366 175.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -90.57 -14.89 31.63 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.022 0.439 . . . . 0.0 110.645 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 9.6 tp -94.3 145.04 8.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.507 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -96.78 150.36 20.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.506 ' HA ' ' HB3' ' A' ' 99' ' ' PHE . 20.8 pttp -64.49 -22.42 66.96 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -171.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -59.8 -57.48 12.71 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.373 0.606 . . . . 0.0 110.44 174.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -79.53 -26.48 41.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.528 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.529 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 65.1 t80 -58.05 -48.59 79.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.664 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -69.1 -37.18 78.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.283 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -57.9 -50.86 71.89 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.66 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.418 ' O ' HG22 ' A' ' 106' ' ' VAL . 83.1 mt -62.02 -49.82 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.717 178.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.1 m -56.35 -47.41 78.88 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -62.21 -46.89 86.89 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.7 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.2 m -56.33 -41.84 76.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.926 177.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.464 HG12 HG11 ' A' ' 78' ' ' VAL . 75.7 t -65.78 -50.89 67.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.637 177.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.445 HD21 HD11 ' A' ' 110' ' ' LEU . 97.3 mt -59.54 -40.48 87.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.237 -178.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -54.46 -51.45 64.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 110.865 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 88.9 m -62.34 -39.72 94.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.74 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.53 HD23 ' SD ' ' A' ' 13' ' ' MET . 96.0 mt -60.96 -41.38 96.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 177.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 58.4 m170 -69.0 -33.29 73.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.407 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.62 74.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.99 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.535 ' O ' HG13 ' A' ' 117' ' ' ILE . 66.8 t -70.44 -44.25 77.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.175 -179.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -57.27 -37.67 72.72 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.181 0.515 . . . . 0.0 110.681 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.639 ' O ' ' HB2' ' A' ' 119' ' ' ARG . 14.6 t70 -60.89 -52.27 65.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.774 -178.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.431 ' HA ' ' HB2' ' A' ' 119' ' ' ARG . 6.3 pt-20 -66.92 -32.46 73.73 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -178.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 113' ' ' VAL . 74.1 mt -57.03 -39.8 68.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.853 0.359 . . . . 0.0 110.571 177.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -94.06 -17.4 22.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.413 . . . . 0.0 111.148 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.639 ' HB2' ' O ' ' A' ' 115' ' ' ASP . 1.4 tpt180 -73.37 -55.13 6.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.449 -177.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 C--N 1.328 -0.358 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 176.87 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.5 tp . . . . . 0 C--O 1.235 0.295 0 CA-C-O 120.699 0.285 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.593 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 57.4 tp -64.36 -50.26 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.653 -177.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -61.82 -32.32 72.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.921 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.403 ' O ' ' HG3' ' A' ' 13' ' ' MET . 77.4 mtp -62.16 -45.4 93.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.825 177.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.437 ' O ' HG13 ' A' ' 14' ' ' ILE . 23.7 m -66.68 -43.16 85.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.226 178.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.593 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 19.8 mm-40 -56.94 -41.93 79.13 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.433 177.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 16' ' ' VAL . 61.1 tt0 -65.85 -42.72 90.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.957 178.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.403 ' HG3' ' O ' ' A' ' 9' ' ' MET . 80.1 mtp -62.13 -39.59 93.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.957 179.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 10' ' ' THR . 81.1 mt -60.2 -44.71 96.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.058 0.456 . . . . 0.0 109.797 175.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -61.79 -46.84 87.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.106 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 12' ' ' GLN . 62.0 t -62.11 -46.17 97.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.882 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.2 -46.58 89.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.759 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -60.77 -47.41 86.45 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.484 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -60.21 -49.24 78.39 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.787 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.36 -36.77 92.09 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.881 -177.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' HA ' ' HE1' ' A' ' 99' ' ' PHE . . . -70.72 -39.24 73.52 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -178.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -77.69 -28.91 51.18 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.801 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -64.47 -36.3 83.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.467 0.651 . . . . 0.0 109.421 171.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.667 ' HD1' ' HA ' ' A' ' 89' ' ' SER . 9.4 t80 -65.8 -34.72 78.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.135 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.779 -179.716 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.574 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 43.4 tptt . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 119.237 -0.411 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.574 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 47.9 Cg_exo -56.96 -33.07 94.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 121.805 1.67 . . . . 0.0 112.497 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.98 -22.38 49.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.636 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 66.4 t -62.11 -50.12 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.07 -174.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -60.03 -39.47 86.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.438 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 33.1 mm-40 -64.43 -53.09 53.84 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-O 120.609 0.242 . . . . 0.0 111.134 178.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -59.92 -43.98 94.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.454 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.78 -53.42 58.36 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.169 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.18 -42.95 99.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.188 177.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 12.7 tp -58.39 -53.23 60.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.685 -177.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.732 ' HB3' ' HG3' ' A' ' 79' ' ' LYS . . . -60.06 -44.62 94.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.481 -177.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.57 -52.41 57.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.18 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.59 -38.01 88.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.269 -176.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.5 t90 -69.09 -43.11 75.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.598 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.34 87.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.892 0.377 . . . . 0.0 110.324 176.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -59.77 -40.8 89.42 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.831 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.91 -42.24 45.95 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.299 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.51 89.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.788 0.328 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.656 HD23 HD13 ' A' ' 62' ' ' ILE . 29.3 mt -62.97 -33.9 76.37 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.851 178.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 64' ' ' VAL . 26.1 tp10 -62.41 -49.32 75.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.457 174.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.6 tt -63.66 -47.41 81.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.205 -175.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.656 HD13 HD23 ' A' ' 59' ' ' LEU . 42.8 pt -73.03 -8.4 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.063 0.459 . . . . 0.0 111.014 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 60' ' ' GLU . 15.1 tttt -81.91 -45.88 14.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.777 172.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 60' ' ' GLU . 86.3 t -61.0 -48.36 89.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.782 -176.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 65' ' ' ARG . 0.3 OUTLIER -122.48 177.58 5.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 -175.696 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -92.48 108.13 28.99 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 177.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.428 ' HG3' ' HB ' ' A' ' 62' ' ' ILE . 55.9 Cg_endo -70.75 170.91 16.62 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.535 2.157 . . . . 0.0 111.518 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.68 ' HZ1' ' HB3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -157.84 -29.71 0.08 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.592 178.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -94.36 -36.03 12.12 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.015 0.436 . . . . 0.0 110.004 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.481 HG21 HG22 ' A' ' 113' ' ' VAL . 7.1 p -103.43 142.13 17.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.585 177.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -116.51 153.38 32.27 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -67.59 -27.8 67.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.288 -178.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -61.64 -41.13 97.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.036 0.446 . . . . 0.0 110.405 172.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.451 ' HB3' ' CG2' ' A' ' 109' ' ' THR . 54.9 mt-30 -62.13 -40.53 96.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.292 -177.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.3 mm -61.63 -43.75 97.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.029 0.443 . . . . 0.0 110.655 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -72.17 -36.42 69.28 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.35 74.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.769 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.493 HG13 HG11 ' A' ' 106' ' ' VAL . 66.8 t -63.26 -38.75 82.95 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.681 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.732 ' HG3' ' HB3' ' A' ' 51' ' ' ALA . 38.7 ttpt -55.84 -45.69 78.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.974 0.416 . . . . 0.0 111.027 179.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -77.09 -47.37 20.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.044 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -60.92 -38.25 85.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.715 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -61.45 -47.38 85.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.802 0.334 . . . . 0.0 110.612 -177.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 53.2 mt -60.78 -42.18 97.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.966 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.629 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 45.4 tt0 -67.53 -42.93 81.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.234 178.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.87 -50.45 68.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.721 -178.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 84.2 t -57.52 -46.1 86.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.724 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 61.7 tp -61.37 -42.67 99.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.99 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.629 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 28.6 mm-40 -65.37 -36.19 83.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 -177.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' SER . . . . . 0.667 ' HA ' ' HD1' ' A' ' 24' ' ' TYR . 26.7 t -55.93 -38.5 70.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.689 -175.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -82.31 -49.28 10.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.739 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.8 m -78.05 -21.14 13.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -173.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 36.3 m80 58.38 53.66 6.19 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.333 0.587 . . . . 0.0 110.08 -177.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . 0.426 ' HB3' ' OE1' ' A' ' 88' ' ' GLN . 73.5 t60 -79.08 -44.26 22.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.049 -176.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.6 pt -97.68 -168.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.856 0.36 . . . . 0.0 110.949 -177.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -109.57 154.71 22.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.635 -178.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -56.76 -43.38 80.7 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -174.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -55.28 -45.28 76.18 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.967 0.413 . . . . 0.0 110.851 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.436 ' O ' HG13 ' A' ' 102' ' ' ILE . 8.0 tpm_? -73.95 -39.13 63.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.093 -179.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.42 ' HE1' ' HA ' ' A' ' 21' ' ' ALA . 34.6 t80 -63.4 -49.15 74.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.765 -178.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -64.46 -31.68 72.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.996 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -68.0 -44.58 76.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.997 0.427 . . . . 0.0 110.414 175.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 98' ' ' ARG . 84.5 mt -60.14 -41.75 87.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.701 173.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.1 m -59.24 -45.91 89.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.205 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -59.56 -42.64 92.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.425 175.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.4 t -57.97 -44.67 87.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.06 0.457 . . . . 0.0 110.321 177.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.493 HG11 HG13 ' A' ' 78' ' ' VAL . 98.6 t -67.28 -53.22 34.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.006 178.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.516 HD22 HD11 ' A' ' 110' ' ' LEU . 82.4 mt -62.97 -38.19 90.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -175.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -63.11 -40.48 97.74 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.496 ' O ' HG21 ' A' ' 113' ' ' VAL . 86.4 m -64.52 -45.21 88.23 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.303 175.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.516 HD11 HD22 ' A' ' 107' ' ' LEU . 99.1 mt -61.62 -38.04 86.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -64.08 -37.91 89.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.593 176.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.19 -44.02 85.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.702 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.496 HG21 ' O ' ' A' ' 109' ' ' THR . 50.5 t -65.11 -50.35 74.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.867 178.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.489 ' HZ2' ' CD ' ' A' ' 11' ' ' GLU . 63.3 tttp -54.53 -42.68 71.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.109 179.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.504 ' O ' ' HB2' ' A' ' 119' ' ' ARG . 19.3 t0 -60.95 -51.2 70.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.999 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.49 -32.82 73.06 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 113' ' ' VAL . 64.2 mt -63.0 -50.78 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.303 175.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.75 -9.79 58.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.155 0.502 . . . . 0.0 110.681 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.504 ' HB2' ' O ' ' A' ' 115' ' ' ASP . 6.0 ttt180 -99.36 -7.67 25.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.129 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 117' ' ' ILE . 13.8 mm-40 . . . . . 0 C--O 1.232 0.183 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.744 177.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.3 tp . . . . . 0 C--O 1.235 0.323 0 CA-C-O 121.029 0.442 . . . . 0.0 110.076 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.424 HD12 ' HG3' ' A' ' 114' ' ' LYS . 57.7 tp -56.48 -46.44 80.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.045 177.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -63.73 -37.48 87.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.605 -177.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 44.8 ttp -70.04 -36.68 75.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.9 0.381 . . . . 0.0 109.984 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.562 ' O ' HG13 ' A' ' 14' ' ' ILE . 27.5 m -64.07 -44.45 92.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.777 174.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -52.7 -51.19 61.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.429 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.499 ' O ' HG23 ' A' ' 16' ' ' VAL . 62.1 tt0 -59.99 -43.51 95.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.772 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.0 ttt -64.32 -38.17 90.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.571 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 10' ' ' THR . 73.3 mt -60.89 -46.59 96.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.286 176.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.93 -39.35 89.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.174 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 12' ' ' GLN . 62.1 t -64.64 -40.21 88.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.782 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.77 91.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.891 0.377 . . . . 0.0 110.494 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -58.49 -49.02 78.86 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.65 175.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.568 ' HA ' ' HB3' ' A' ' 22' ' ' ASP . 29.6 mmtm -70.49 -22.63 62.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.044 -178.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.28 -47.02 84.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.694 173.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.53 ' HB3' HG22 ' A' ' 103' ' ' THR . . . -68.06 -37.74 81.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.252 0.548 . . . . 0.0 109.999 175.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.568 ' HB3' ' HA ' ' A' ' 19' ' ' LYS . 9.9 t70 -58.44 -41.86 86.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.716 174.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -34.75 78.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.475 -178.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -72.06 -36.89 69.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.425 175.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.686 178.506 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.611 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 46.2 tptt . . . . . 0 CA--C 1.536 0.411 0 CA-C-O 119.256 -0.402 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.611 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 6.4 Cg_exo -73.89 -47.07 0.28 Allowed 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 121.709 1.606 . . . . 0.0 111.443 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.83 -30.43 71.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.185 -178.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.9 t -63.61 -54.98 25.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.707 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -61.96 -44.28 97.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.695 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 45.0 mm-40 -56.2 -54.31 46.73 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.452 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -68.85 -36.01 77.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.5 -178.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.523 ' HA ' HD21 ' A' ' 83' ' ' LEU . 28.0 t70 -55.49 -52.99 61.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.98 0.419 . . . . 0.0 110.565 175.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -71.33 -30.59 66.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.045 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 12.5 tp -63.38 -51.67 64.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.946 0.403 . . . . 0.0 110.264 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.63 -38.07 86.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.66 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.41 -51.35 66.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.841 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -59.6 -45.4 92.01 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.33 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -62.41 -45.82 91.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.466 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.7 89.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.418 177.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -60.46 -48.56 81.24 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.105 177.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.61 -41.58 99.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.363 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.439 ' HB1' HD13 ' A' ' 75' ' ' ILE . . . -66.11 -43.07 88.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.786 0.327 . . . . 0.0 110.864 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.598 HD22 HD13 ' A' ' 62' ' ' ILE . 51.3 mt -65.53 -36.29 83.38 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.091 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 9.2 tp10 -63.73 -42.49 97.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.271 176.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.8 tp -63.43 -47.3 82.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.067 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.598 HD13 HD22 ' A' ' 59' ' ' LEU . 34.8 pt -79.68 -2.14 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.391 0.615 . . . . 0.0 110.912 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -82.65 -36.35 26.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.233 171.3 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 68.3 t -68.08 -55.31 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.394 178.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.7 mtt180 -136.45 -161.96 1.22 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.616 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.401 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 8.0 mpt_? -90.58 149.06 40.05 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.787 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 8.1 Cg_exo -70.38 138.39 35.74 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.644 2.23 . . . . 0.0 110.817 173.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -86.9 -55.84 3.66 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.996 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -125.33 -43.7 1.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.857 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.78 154.12 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 172.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.434 ' O ' HG13 ' A' ' 75' ' ' ILE . 27.9 m80 -129.36 149.28 51.21 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -60.61 -35.89 77.25 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -48.69 -49.99 35.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.617 172.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -71.58 -40.04 70.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.604 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.439 HD13 ' HB1' ' A' ' 58' ' ' ALA . 93.2 mt -59.62 -45.16 94.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.814 0.34 . . . . 0.0 111.231 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.56 -32.49 69.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.1 0.476 . . . . 0.0 110.533 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.3 -51.31 31.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.797 177.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.402 HG13 HG21 ' A' ' 106' ' ' VAL . 54.6 t -58.97 -40.84 81.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.042 -178.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.548 ' HD3' ' N ' ' A' ' 80' ' ' ASP . 11.7 tmtt? -51.36 -53.14 39.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.422 178.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.548 ' N ' ' HD3' ' A' ' 79' ' ' LYS . 0.7 OUTLIER -78.21 -39.34 40.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.125 -174.795 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -63.9 -34.72 78.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.189 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.489 ' HZ ' ' HB ' ' A' ' 16' ' ' VAL . 50.2 t80 -62.01 -40.91 97.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.548 -179.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.523 HD21 ' HA ' ' A' ' 48' ' ' ASP . 84.8 mt -65.05 -38.05 89.56 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.738 178.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -70.87 -38.35 73.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.628 176.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.562 HD13 HG21 ' A' ' 102' ' ' ILE . 6.2 tt -56.59 -51.98 66.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.147 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.5 t -58.42 -46.03 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.875 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.516 ' O ' HG23 ' A' ' 91' ' ' VAL . 48.6 tp -64.98 -47.73 76.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 -179.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.415 ' HA ' ' CG2' ' A' ' 91' ' ' VAL . 17.1 mm-40 -63.13 -27.58 69.48 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -176.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.7 t -67.61 -18.87 65.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.627 0.251 . . . . 0.0 110.6 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -110.48 -34.74 6.23 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 87' ' ' LEU . 28.0 m -82.84 -23.91 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.52 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 58.85 45.29 15.58 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 172.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -118.85 70.3 0.82 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 122.503 1.144 . . . . 0.0 110.995 173.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.498 HG13 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -129.01 164.57 31.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 114.532 -1.213 . . . . 0.0 108.744 172.784 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -89.04 -71.21 0.61 Allowed 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.465 -177.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -159.98 -71.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.799 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.708 ' HB2' ' HZ2' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -69.67 -28.86 66.22 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -170.022 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -59.69 -49.71 76.67 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -175.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.498 ' HB2' HG13 ' A' ' 94' ' ' ILE . 73.0 t80 -61.69 -40.89 96.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.031 0.444 . . . . 0.0 110.289 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -67.36 -48.44 67.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.141 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -61.14 -47.49 85.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.156 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.562 HG21 HD13 ' A' ' 85' ' ' LEU . 60.4 mt -58.2 -48.94 83.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.217 178.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.53 HG22 ' HB3' ' A' ' 21' ' ' ALA . 37.4 m -59.8 -46.43 89.24 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.129 0.49 . . . . 0.0 110.478 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -64.74 -46.24 83.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.155 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.4 t -57.56 -47.53 81.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.341 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 102' ' ' ILE . 74.3 t -59.61 -49.81 82.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.645 177.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.4 mt -57.97 -47.77 81.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.978 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -55.11 -51.43 66.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.426 ' O ' HG22 ' A' ' 113' ' ' VAL . 75.4 m -61.09 -44.15 97.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.816 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 93.9 mt -62.04 -38.59 89.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.731 0.3 . . . . 0.0 111.255 178.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -66.11 -36.76 84.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.347 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.66 -49.13 69.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.611 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 117' ' ' ILE . 62.3 t -61.81 -45.6 98.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.991 -179.17 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.424 ' HG3' HD12 ' A' ' 7' ' ' LEU . 83.3 tttt -55.81 -48.38 75.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.084 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -68.26 -43.3 78.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.987 -175.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -59.07 -43.09 91.74 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.975 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 113' ' ' VAL . 87.4 mt -60.49 -50.74 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-O 120.921 0.391 . . . . 0.0 110.422 176.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.3 -17.44 63.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.581 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -84.43 -19.42 33.48 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.294 0.568 . . . . 0.0 109.836 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.424 174.034 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.8 tp . . . . . 0 C--O 1.234 0.272 0 CA-C-O 120.777 0.322 . . . . 0.0 111.415 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.484 HD12 ' HE3' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -71.39 -49.08 45.57 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -176.818 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -65.32 -28.61 69.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.658 0.266 . . . . 0.0 110.956 -178.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 83.7 mtp -61.15 -47.16 87.48 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 173.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.525 ' O ' HG13 ' A' ' 14' ' ' ILE . 31.0 m -63.88 -49.74 71.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.404 177.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -52.58 -39.6 61.74 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.415 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.454 ' O ' HG23 ' A' ' 16' ' ' VAL . 58.3 tp60 -61.17 -45.24 95.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.812 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' MET . . . . . 0.438 ' SD ' HD21 ' A' ' 110' ' ' LEU . 48.2 ttm -68.93 -36.25 77.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.425 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 10' ' ' THR . 67.2 mt -63.77 -42.83 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.116 177.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 38.6 tt0 -58.34 -41.69 85.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.883 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 12' ' ' GLN . 48.0 t -65.37 -40.53 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.3 . . . . 0.0 110.704 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.65 -49.36 73.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.527 177.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -59.69 -44.54 93.6 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.197 176.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 15.2 ttmm -58.85 -44.74 91.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.436 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.39 -42.91 80.7 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.302 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.49 -43.3 99.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.718 0.295 . . . . 0.0 110.998 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.85 -40.78 97.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.983 0.421 . . . . 0.0 110.319 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -65.02 -41.01 95.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.434 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -66.36 -41.39 89.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.412 178.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 . . . . . 0 C--O 1.235 0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.661 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.59 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 21.6 ttpp . . . . . 0 CA--C 1.535 0.395 0 CA-C-O 119.296 -0.383 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 13.6 Cg_exo -68.88 -43.84 3.2 Favored 'Trans proline' 0 C--N 1.357 1.022 0 C-N-CA 121.333 1.355 . . . . 0.0 111.151 178.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.08 -30.6 71.57 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.995 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.96 -50.51 74.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.405 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -56.96 -46.52 82.08 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.93 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 17.7 mm-40 -59.25 -56.25 24.57 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.446 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -67.91 -36.39 80.11 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -173.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.61 -52.91 63.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.905 0.383 . . . . 0.0 110.765 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -74.79 -27.17 60.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.878 -179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 16.2 tp -61.46 -49.49 76.59 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 174.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.436 ' HA ' ' HE2' ' A' ' 13' ' ' MET . . . -62.6 -40.63 97.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.703 177.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.7 -46.17 89.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.911 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -70.58 -37.7 73.96 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.347 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -66.56 -43.0 86.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.131 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.81 -46.66 87.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.275 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -57.97 -48.32 80.33 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.897 177.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.67 -41.73 99.78 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.165 -0.541 . . . . 0.0 112.459 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.27 -45.59 83.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.591 0.234 . . . . 0.0 110.908 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 72.3 mt -61.01 -40.46 93.64 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.991 0.424 . . . . 0.0 110.7 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -60.7 -47.62 85.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.018 176.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.4 -50.49 71.34 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.842 -177.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 41.9 pt -68.74 -22.1 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.713 0.292 . . . . 0.0 111.77 -176.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HE2' ' HB3' ' A' ' 63' ' ' LYS . 3.9 tmmm? -79.62 -43.37 22.99 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 99.5 t -73.14 -51.92 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.484 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -91.35 -88.32 0.19 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.303 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 175.69 155.59 0.37 Allowed Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.818 -174.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -81.2 107.86 1.93 Allowed 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.725 2.283 . . . . 0.0 110.388 169.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.679 ' HB3' ' HG2' ' A' ' 116' ' ' GLU . 10.9 tmtt? -87.79 -38.19 15.95 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -175.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.597 ' HB2' ' HB1' ' A' ' 112' ' ' ALA . 66.9 m-85 -129.86 -54.21 1.14 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.305 0.574 . . . . 0.0 110.136 174.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.49 HG21 HG21 ' A' ' 109' ' ' THR . 9.5 p -66.78 146.87 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.945 -173.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -105.47 155.25 19.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.334 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.53 -38.84 88.89 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -178.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.1 -42.92 91.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.4 178.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.533 ' O ' HG23 ' A' ' 78' ' ' VAL . 51.7 mt-30 -58.09 -44.73 87.77 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.132 -178.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.56 -40.37 78.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.38 -175.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -75.89 -37.9 58.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.16 0.505 . . . . 0.0 110.266 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.25 -36.57 81.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.468 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 74' ' ' GLN . 53.3 t -60.75 -40.77 86.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.105 -178.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -58.36 -49.33 77.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.036 0.446 . . . . 0.0 110.217 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -59.93 -50.71 72.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.997 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.521 ' HB3' HG22 ' A' ' 102' ' ' ILE . 29.1 m-80 -67.1 -40.11 86.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.966 -176.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.425 ' HZ ' ' HB ' ' A' ' 16' ' ' VAL . 55.2 t80 -66.95 -42.54 85.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.642 -177.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 66.4 mt -63.21 -43.13 98.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.65 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -61.8 -39.22 90.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.368 175.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.551 HD11 HG23 ' A' ' 102' ' ' ILE . 7.8 tt -59.94 -53.28 59.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.136 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.9 t -61.27 -45.07 99.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.993 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.88 -45.17 93.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.218 0.533 . . . . 0.0 111.22 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -92.0 6.93 44.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.396 -175.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.1 t -70.95 -38.45 72.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.045 0.45 . . . . 0.0 110.257 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -83.55 -54.85 4.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.632 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.4 m -74.01 -24.62 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -175.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 31.8 m170 57.3 58.65 3.76 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.203 0.525 . . . . 0.0 111.277 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -71.72 -19.67 62.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.016 176.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 11.6 pt -126.98 98.11 4.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.322 175.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -109.14 71.3 0.77 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.666 0.746 . . . . 0.0 110.36 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.595 ' HG3' ' H ' ' A' ' 97' ' ' LYS . 13.0 tptm -166.73 -161.85 0.47 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.203 -177.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.595 ' H ' ' HG3' ' A' ' 96' ' ' LYS . 98.8 mttt -59.47 -29.04 67.53 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -177.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -53.02 -47.52 68.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.256 -177.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -66.23 -40.47 90.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.171 -179.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -64.72 -48.93 72.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.652 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -60.62 -41.8 95.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.82 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.551 HG23 HD11 ' A' ' 85' ' ' LEU . 64.2 mt -58.26 -49.71 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.326 174.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 33.8 m -57.39 -45.23 84.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.536 177.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -58.29 -49.22 77.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.996 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 44.1 m -60.31 -42.47 95.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.154 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 102' ' ' ILE . 91.0 t -67.17 -52.05 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.49 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.7 mt -58.73 -44.6 90.51 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.492 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -58.21 -48.65 79.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.686 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.49 HG21 HG21 ' A' ' 70' ' ' VAL . 28.0 m -64.68 -43.73 92.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.97 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.438 HD21 ' SD ' ' A' ' 13' ' ' MET . 92.3 mt -62.03 -43.95 97.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.115 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -65.33 -34.9 79.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 0.0 110.45 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.597 ' HB1' ' HB2' ' A' ' 69' ' ' TYR . . . -67.21 -50.69 59.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.154 -179.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 117' ' ' ILE . 64.4 t -67.35 -38.58 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.353 -177.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.484 ' HE3' HD12 ' A' ' 7' ' ' LEU . 87.3 tttt -56.51 -43.54 79.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.681 177.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -69.1 -35.08 76.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.437 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.679 ' HG2' ' HB3' ' A' ' 68' ' ' LYS . 51.2 mt-10 -66.86 -38.04 85.59 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.053 178.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 113' ' ' VAL . 78.6 mt -60.21 -50.23 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.713 178.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.82 -9.51 58.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.469 -178.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.23 -55.32 4.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.588 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 . . . . . 0 C--N 1.326 -0.428 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.774 -170.555 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.1 tp . . . . . 0 N--CA 1.465 0.299 0 CA-C-O 120.737 0.303 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . 0.499 HD12 ' HE3' ' A' ' 114' ' ' LYS . 32.9 tp -63.41 -47.57 81.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.762 -179.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -52.33 -42.48 63.89 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.098 0.475 . . . . 0.0 111.389 -178.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.8 mtp -59.64 -45.97 90.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.812 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.43 ' O ' HG13 ' A' ' 14' ' ' ILE . 24.4 m -71.25 -38.1 71.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 21.7 mm-40 -56.57 -44.03 80.58 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.718 178.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 16' ' ' VAL . 60.1 tp60 -65.21 -44.24 88.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.261 177.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 74.5 mmm -54.68 -44.17 73.12 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 10' ' ' THR . 77.6 mt -59.62 -51.94 66.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.362 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.538 ' HG2' ' HD3' ' A' ' 19' ' ' LYS . 21.9 tt0 -66.21 -34.99 79.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.29 -176.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 12' ' ' GLN . 76.9 t -59.3 -46.29 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.674 0.273 . . . . 0.0 110.957 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.77 76.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.63 -35.84 80.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.839 177.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.538 ' HD3' ' HG2' ' A' ' 15' ' ' GLU . 1.2 tptm -64.12 -47.55 79.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.572 177.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.04 -43.71 99.1 Favored Glycine 0 C--N 1.333 0.37 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.148 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 25' ' ' GLN . . . -59.48 -46.64 88.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.714 0.293 . . . . 0.0 110.575 176.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -58.75 -48.24 81.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.209 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -58.84 -43.38 90.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.877 -175.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -75.04 -41.42 59.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.956 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.097 0.475 . . . . 0.0 109.771 -178.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.533 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 42.6 tttm . . . . . 0 CA--C 1.541 0.604 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 52.7 Cg_exo -56.12 -40.03 87.48 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.096 1.864 . . . . 0.0 113.205 -175.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.31 -41.0 70.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.747 0.308 . . . . 0.0 110.638 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.5 t -60.09 -43.26 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.455 179.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 47.5 mt-10 -54.99 -50.93 67.78 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.964 0.412 . . . . 0.0 111.051 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -61.89 -51.31 68.67 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.264 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -61.53 -39.01 89.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.17 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.504 ' HA ' HD21 ' A' ' 83' ' ' LEU . 25.9 t70 -59.62 -44.4 93.45 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.961 0.41 . . . . 0.0 110.816 178.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -63.46 -49.42 73.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.056 175.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.2 mp -57.64 -52.97 63.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.525 -178.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.71 -35.07 72.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.382 -177.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.4 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . . . -68.25 -57.38 6.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.142 -179.097 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . 0.403 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -71.15 -31.35 67.59 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.58 -175.713 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -64.14 -42.85 96.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 110.26 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.68 -43.88 97.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.447 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.69 -34.06 77.02 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.976 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.8 -43.7 65.62 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.1 -0.572 . . . . 0.0 111.779 175.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.19 98.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.973 0.416 . . . . 0.0 110.459 177.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.646 HD21 HD11 ' A' ' 62' ' ' ILE . 48.9 mt -60.05 -35.71 75.72 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.004 176.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -61.94 -45.38 93.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.819 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.86 -44.66 76.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.56 -178.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.646 HD11 HD21 ' A' ' 59' ' ' LEU . 40.6 pt -76.13 -6.69 9.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.097 0.475 . . . . 0.0 110.891 -179.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -81.77 -40.69 22.27 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 172.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.4 t -73.96 -50.54 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.09 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -114.45 -161.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.175 0.512 . . . . 0.0 111.375 -177.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -80.96 160.27 66.55 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.153 174.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.16 -52.78 8.1 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.724 2.283 . . . . 0.0 112.584 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.463 ' HG2' ' CD ' ' A' ' 116' ' ' GLU . 23.4 tptm 64.55 107.03 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.762 0.664 . . . . 0.0 111.58 177.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.526 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 34.6 m-85 68.89 -68.42 0.18 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.627 -177.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.524 HG21 HG22 ' A' ' 109' ' ' THR . 13.5 p -92.36 158.87 2.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.367 -174.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . 0.411 ' N ' HG23 ' A' ' 70' ' ' VAL . 64.4 m80 -122.25 163.78 19.03 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 176.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -62.74 -34.65 77.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.322 . . . . 0.0 110.946 -176.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -59.23 -38.38 79.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.259 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -71.6 -45.52 61.9 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.805 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.8 mt -59.13 -42.73 87.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -178.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -68.72 -32.95 73.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.935 0.398 . . . . 0.0 110.875 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.15 -46.51 67.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.18 176.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.432 HG13 HG21 ' A' ' 106' ' ' VAL . 70.4 t -60.98 -35.39 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.066 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 52' ' ' ALA . 81.8 tttt -55.47 -46.01 76.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.015 0.436 . . . . 0.0 110.813 178.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -77.47 -42.89 34.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.596 178.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.516 ' HB3' HG21 ' A' ' 102' ' ' ILE . 94.6 m-20 -65.88 -26.95 67.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.0 -175.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -65.49 -47.81 74.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.177 0.513 . . . . 0.0 109.723 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.504 HD21 ' HA ' ' A' ' 48' ' ' ASP . 98.3 mt -69.08 -37.12 78.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.104 178.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . 0.542 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 15.7 tp10 -57.86 -47.92 81.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.344 174.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.1 tt -55.44 -50.46 69.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 61.8 t -62.53 -46.07 97.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.945 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 42.5 tp -69.0 -44.47 72.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.507 -177.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.564 ' HG3' HD12 ' A' ' 94' ' ' ILE . 3.1 pt20 -64.7 -26.76 68.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.0 -175.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.0 t -65.54 -34.16 77.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.329 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -92.77 -37.42 12.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.994 -178.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.517 HG22 ' HA ' ' A' ' 88' ' ' GLN . 34.4 m -79.02 -19.3 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.069 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 39.6 m80 68.33 27.81 6.42 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.016 0.746 . . . . 0.0 113.016 171.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -89.44 39.87 0.96 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.984 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.564 HD12 ' HG3' ' A' ' 88' ' ' GLN . 24.4 pt -142.97 177.03 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.988 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -134.91 -72.99 0.47 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.949 174.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -149.55 -57.33 0.19 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.279 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.501 ' H ' ' HD2' ' A' ' 97' ' ' LYS . 8.5 mptt -51.83 -54.1 32.82 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.896 -173.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -63.01 -49.83 73.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 -177.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.48 -43.73 89.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.028 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -44.76 83.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.269 -178.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -65.31 -45.02 86.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.823 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.516 HG21 ' HB3' ' A' ' 81' ' ' ASN . 74.4 mt -60.43 -50.95 78.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.715 178.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 54.0 m -58.02 -44.06 87.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.111 0.481 . . . . 0.0 110.501 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.94 -51.71 67.0 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.187 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.0 m -60.0 -39.43 85.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.056 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.479 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 74.9 t -66.99 -52.02 48.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.637 0.256 . . . . 0.0 110.71 178.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.493 HD11 HD11 ' A' ' 110' ' ' LEU . 4.2 mm? -63.18 -38.67 92.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.292 -178.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -62.38 -40.63 97.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 110.201 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.524 HG22 HG21 ' A' ' 70' ' ' VAL . 93.9 m -65.68 -42.48 91.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.526 176.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.493 HD11 HD11 ' A' ' 107' ' ' LEU . 97.2 mt -59.63 -44.47 93.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.42 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -58.63 -40.28 82.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 178.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.526 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . . . -64.77 -46.35 82.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.234 -177.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.508 ' O ' HG13 ' A' ' 117' ' ' ILE . 58.4 t -72.92 -39.94 59.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.188 0.518 . . . . 0.0 110.206 -178.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.499 ' HE3' HD12 ' A' ' 7' ' ' LEU . 1.3 tmtp? -60.9 -37.99 84.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.773 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -60.84 -47.95 84.02 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.785 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.463 ' CD ' ' HG2' ' A' ' 68' ' ' LYS . 26.6 mm-40 -64.33 -38.19 90.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.529 -179.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 113' ' ' VAL . 70.9 mt -59.55 -45.52 93.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.279 0.562 . . . . 0.0 110.236 178.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -82.18 -6.64 59.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.107 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 32.5 ttm-85 -93.28 -20.95 19.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.663 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.864 176.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.7 tp . . . . . 0 C--O 1.234 0.277 0 CA-C-O 121.126 0.489 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.9 tp -65.33 -51.23 62.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.141 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -57.82 -42.53 84.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.995 0.426 . . . . 0.0 110.48 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 82.5 mtp -58.15 -51.22 70.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.774 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.545 ' O ' HG13 ' A' ' 14' ' ' ILE . 19.5 m -63.49 -49.59 73.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.584 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -55.15 -43.42 74.19 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.3 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.508 ' O ' HG23 ' A' ' 16' ' ' VAL . 57.7 tp60 -62.26 -46.8 87.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.497 177.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 92.6 mtp -64.85 -34.82 79.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.346 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.603 HG12 ' HB3' ' A' ' 110' ' ' LEU . 67.2 mt -63.15 -43.65 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.199 176.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -64.4 -39.22 93.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.601 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 12' ' ' GLN . 95.9 t -61.69 -40.79 88.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.593 176.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.7 -45.23 87.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.99 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -56.16 -48.99 75.25 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.66 175.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -66.86 -35.28 79.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.296 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.21 -48.91 83.15 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.103 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.512 ' HB3' HG22 ' A' ' 103' ' ' THR . . . -64.25 -42.4 96.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.965 0.412 . . . . 0.0 110.406 177.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -56.78 -43.82 81.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.875 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.48 -40.5 80.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.374 -176.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.442 ' CE2' ' HA ' ' A' ' 96' ' ' LYS . 55.2 t80 -75.36 -37.96 60.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.626 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.204 -178.93 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.461 ' HB3' ' CD ' ' A' ' 42' ' ' PRO . 25.1 ttpp . . . . . 0 CA--C 1.531 0.221 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.461 ' CD ' ' HB3' ' A' ' 41' ' ' LYS . 21.5 Cg_endo -59.93 -46.09 21.17 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 122.015 1.81 . . . . 0.0 112.117 -178.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.38 -35.46 79.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.405 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.8 t -66.96 -45.93 86.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.792 177.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -62.59 -42.85 99.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.323 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -56.92 -55.83 29.5 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.092 0.473 . . . . 0.0 110.916 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.453 ' HB3' ' HE2' ' A' ' 82' ' ' PHE . 92.3 m-20 -67.36 -24.83 65.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.072 -177.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.543 ' HA ' HD13 ' A' ' 83' ' ' LEU . 19.3 t70 -64.67 -49.68 70.02 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 174.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.79 -41.33 97.95 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.042 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.13 -53.2 61.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.491 -179.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.13 -38.75 82.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.352 -177.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.24 99.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.897 0.38 . . . . 0.0 110.932 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -34.33 62.7 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.861 178.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -65.28 -44.34 88.32 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 176.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.94 -44.92 87.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.457 177.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -60.93 -39.56 89.91 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.767 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.414 ' O ' ' HB3' ' A' ' 60' ' ' GLU . . . -67.84 -43.23 84.25 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.105 177.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 62' ' ' ILE . . . -65.0 -45.54 85.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.818 0.342 . . . . 0.0 110.657 177.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.541 HD22 HD12 ' A' ' 62' ' ' ILE . 53.5 mt -59.32 -33.61 71.33 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.178 0.513 . . . . 0.0 110.756 177.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.471 ' O ' HG22 ' A' ' 64' ' ' VAL . 31.7 tp10 -63.19 -53.96 45.07 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.252 175.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.68 -41.13 98.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.045 -176.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.567 HG21 ' HG2' ' A' ' 67' ' ' PRO . 42.4 pt -68.11 -29.16 43.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -174.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HE3' ' HA ' ' A' ' 60' ' ' GLU . 21.7 pttp -82.13 -26.28 33.65 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 119.651 -0.819 . . . . 0.0 110.573 178.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 60' ' ' GLU . 61.8 t -80.69 -47.4 20.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.019 178.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -137.56 167.0 22.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.506 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.428 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 98.4 mtt180 -92.14 115.48 64.76 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.09 176.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.567 ' HG2' HG21 ' A' ' 62' ' ' ILE . 3.4 Cg_exo -75.02 7.63 2.79 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.407 2.738 . . . . 0.0 112.71 -176.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.6 mttp 69.87 -70.46 0.14 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.448 172.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . 0.532 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 2.8 m-85 -77.83 -56.68 4.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.067 0.46 . . . . 0.0 111.653 -171.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.426 HG23 HG23 ' A' ' 109' ' ' THR . 12.7 p -81.27 147.46 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.704 -171.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -112.05 159.57 18.35 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -67.44 -29.04 68.41 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.566 -173.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -64.4 -38.6 91.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.11 0.481 . . . . 0.0 110.359 176.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.417 ' O ' HG23 ' A' ' 78' ' ' VAL . 15.5 mm-40 -62.36 -43.58 98.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.575 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.418 HD13 ' HB2' ' A' ' 58' ' ' ALA . 63.0 mt -61.86 -41.35 90.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.801 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.401 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . 5.9 mm-40 -68.54 -37.01 79.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.14 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.81 -45.87 73.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.592 177.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 74' ' ' GLN . 73.7 t -61.6 -35.58 68.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.209 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -52.64 -53.43 47.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.013 0.435 . . . . 0.0 111.34 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -75.13 -37.77 61.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -64.24 -31.71 73.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.14 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.453 ' HE2' ' HB3' ' A' ' 47' ' ' ASN . 79.8 t80 -64.85 -54.35 32.4 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . 0.543 HD13 ' HA ' ' A' ' 48' ' ' ASP . 4.5 mm? -58.34 -42.5 86.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.594 177.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -56.9 -51.44 69.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.12 177.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.492 ' HA ' HE21 ' A' ' 88' ' ' GLN . 7.0 tt -57.06 -48.73 77.83 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.585 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 82' ' ' PHE . 76.3 t -57.97 -45.65 87.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.264 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.1 tp -69.09 -44.98 71.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.002 0.43 . . . . 0.0 111.415 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.492 HE21 ' HA ' ' A' ' 85' ' ' LEU . 24.9 pt20 -83.08 2.59 34.45 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -173.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.6 p -67.81 -27.99 67.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -90.4 -46.42 8.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.392 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . 0.46 HG23 ' HA ' ' A' ' 88' ' ' GLN . 30.4 m -91.06 -33.22 5.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -171.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.8 m170 59.05 88.4 0.07 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 122.793 0.437 . . . . 0.0 111.012 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -112.8 8.05 18.67 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.284 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.499 HD11 ' HB2' ' A' ' 99' ' ' PHE . 2.0 pp -115.69 -177.53 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.796 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -99.43 145.53 27.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.892 175.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . 0.442 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 22.2 ptmt -54.99 -33.13 62.3 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -173.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -67.96 -37.26 81.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.665 0.269 . . . . 0.0 111.453 -179.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.55 ' NE ' ' HA ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -78.91 -31.76 45.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.525 -175.876 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.499 ' HB2' HD11 ' A' ' 94' ' ' ILE . 37.8 t80 -62.43 -34.04 75.98 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.096 0.474 . . . . 0.0 110.117 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -51.05 71.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.246 176.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -59.76 -42.32 92.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.164 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 98' ' ' ARG . 79.4 mt -57.82 -51.76 66.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.16 177.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.512 HG22 ' HB3' ' A' ' 21' ' ' ALA . 29.3 m -58.28 -47.57 83.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.687 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -60.03 -41.54 92.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.881 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.3 m -68.13 -40.54 82.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.813 0.339 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 102' ' ' ILE . 95.9 t -66.69 -50.33 66.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.291 177.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 55.8 mt -59.17 -45.24 91.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.465 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -56.15 -42.18 76.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.15 0.5 . . . . 0.0 110.295 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.426 HG23 HG23 ' A' ' 70' ' ' VAL . 86.6 m -70.07 -46.08 65.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.969 178.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.603 ' HB3' HG12 ' A' ' 14' ' ' ILE . 95.4 mt -60.55 -41.95 95.56 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.196 -179.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -63.65 -36.67 84.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.101 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . 0.532 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . . . -67.09 -47.68 70.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.398 -178.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 81.9 t -62.9 -43.96 99.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.022 0.439 . . . . 0.0 110.099 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.447 ' HD2' ' C ' ' A' ' 114' ' ' LYS . 0.6 OUTLIER -54.31 -45.11 72.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.189 176.197 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -69.0 -42.05 76.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.554 -172.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -61.91 -41.21 97.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.867 0.365 . . . . 0.0 110.742 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 75.1 mt -62.3 -45.14 99.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 120.988 0.423 . . . . 0.0 110.65 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.42 -20.43 61.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.684 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -78.08 -26.95 48.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.905 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.843 174.349 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.3 tp . . . . . 0 N--CA 1.467 0.377 0 CA-C-O 120.862 0.363 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.74 -42.82 81.25 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.74 -43.16 98.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.424 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 68.0 mtp -56.53 -43.57 79.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.883 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.476 ' O ' HG13 ' A' ' 14' ' ' ILE . 22.8 m -71.01 -50.86 29.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.804 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -55.52 -36.4 66.69 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.46 ' O ' HG21 ' A' ' 16' ' ' VAL . 49.9 tt0 -61.31 -51.34 69.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 110.173 175.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 48.8 ttm -60.7 -38.99 86.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.825 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.57 HG12 ' HB3' ' A' ' 110' ' ' LEU . 67.1 mt -62.91 -49.32 84.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.684 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . 0.454 ' HG2' ' HE2' ' A' ' 19' ' ' LYS . 33.8 tt0 -65.52 -39.42 91.8 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.811 -177.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.46 HG21 ' O ' ' A' ' 12' ' ' GLN . 81.2 t -62.22 -42.45 95.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.446 0.165 . . . . 0.0 110.802 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.07 89.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.905 0.383 . . . . 0.0 110.627 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.65 -46.39 90.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.243 177.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.454 ' HE2' ' HG2' ' A' ' 15' ' ' GLU . 51.7 mtmt -68.64 -30.63 69.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.196 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.05 -45.04 63.99 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.087 -0.577 . . . . 0.0 111.786 177.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.492 ' HB1' HG21 ' A' ' 103' ' ' THR . . . -68.22 -38.44 81.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.87 0.367 . . . . 0.0 110.326 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.16 -41.14 87.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.367 175.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -59.47 -46.89 87.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.615 176.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -64.71 -36.74 85.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.471 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.397 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.597 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 29.3 tptp . . . . . 0 CA--C 1.539 0.522 0 CA-C-O 119.409 -0.329 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.597 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 7.9 Cg_exo -72.24 -37.87 4.18 Favored 'Trans proline' 0 C--N 1.359 1.125 0 C-N-CA 121.553 1.502 . . . . 0.0 111.948 -178.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.66 -43.14 66.59 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.394 -176.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.1 t -57.84 -50.67 76.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.036 -176.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -64.42 -45.53 87.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 6.1 tm-20 -54.46 -59.03 5.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.364 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -63.64 -36.42 83.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.724 -175.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.61 -49.88 67.11 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.785 0.326 . . . . 0.0 110.647 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -62.15 -41.64 98.47 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.296 0.569 . . . . 0.0 110.321 176.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 6.0 tp -59.62 -53.59 56.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.854 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.456 ' HB2' ' HG2' ' A' ' 79' ' ' LYS . . . -60.62 -38.31 84.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.465 -177.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.76 -53.73 53.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.851 0.358 . . . . 0.0 110.643 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.65 -33.52 75.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.117 -178.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -66.86 -45.78 77.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.221 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.61 -46.99 88.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.439 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -60.4 -36.1 77.31 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.269 178.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.72 -47.74 31.9 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.33 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.55 -47.17 85.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.813 0.34 . . . . 0.0 111.043 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.479 HD21 HD12 ' A' ' 62' ' ' ILE . 51.6 mt -61.37 -36.23 79.65 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.202 179.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.584 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 32.4 tp10 -56.93 -51.57 68.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.874 176.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.94 -39.93 87.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -175.676 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . 0.596 HG21 ' HB3' ' A' ' 67' ' ' PRO . 40.3 pt -73.16 -22.92 19.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.584 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -83.16 -23.31 32.98 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.17 174.847 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 60' ' ' GLU . 88.1 t -78.81 -60.39 2.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.707 175.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -109.71 168.82 9.13 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -78.54 118.12 70.46 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.596 ' HB3' HG21 ' A' ' 62' ' ' ILE . 60.6 Cg_endo -72.97 158.22 50.07 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.875 2.383 . . . . 0.0 112.577 -177.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . 0.499 ' HD2' ' N ' ' A' ' 68' ' ' LYS . 5.5 mptt -111.34 119.82 40.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.324 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 72.39 -49.05 0.69 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.637 0.775 . . . . 0.0 111.977 177.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.477 HG22 HG21 ' A' ' 113' ' ' VAL . 7.6 p -69.92 141.94 16.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.21 0.528 . . . . 0.0 111.089 -178.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -127.19 162.43 26.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.101 -0.704 . . . . 0.0 109.101 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.71 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -64.48 -39.07 93.11 Favored 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.099 -176.57 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -56.26 -34.38 66.34 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.28 0.562 . . . . 0.0 110.329 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . 0.433 ' O ' HG23 ' A' ' 78' ' ' VAL . 73.8 mm-40 -68.43 -47.86 66.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.397 -179.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.33 -39.46 85.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.265 -177.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . 0.71 ' HG2' ' O ' ' A' ' 72' ' ' LYS . 61.5 mm-40 -60.87 -42.48 97.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.455 -177.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.18 -46.96 38.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.398 -177.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.514 HG12 HG11 ' A' ' 106' ' ' VAL . 55.2 t -54.46 -37.87 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.769 -176.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.456 ' HG2' ' HB2' ' A' ' 51' ' ' ALA . 13.7 tmtt? -56.33 -54.15 48.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.426 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . 0.418 ' N ' ' HD3' ' A' ' 79' ' ' LYS . 4.3 m-20 -78.02 -35.3 50.01 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.303 -176.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . 0.445 ' HB3' HG22 ' A' ' 102' ' ' ILE . 6.4 m-20 -56.05 -43.09 77.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.475 175.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -59.54 -46.3 89.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.87 -48.14 72.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.221 -177.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.51 -32.53 73.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.756 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.568 HD11 HG23 ' A' ' 102' ' ' ILE . 5.7 tt -58.49 -51.47 69.75 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 65.6 t -59.31 -45.23 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.405 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.3 tp -59.94 -53.9 52.46 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.441 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . 0.403 HE21 ' HB3' ' A' ' 88' ' ' GLN . 2.7 pt20 -67.25 -19.44 65.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.523 -175.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.4 m -64.66 -40.59 95.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 110.713 176.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -84.41 -48.32 9.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.314 -176.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.9 m -75.46 -17.53 15.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.534 -176.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 36.3 m80 62.72 33.51 15.43 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.259 0.552 . . . . 0.0 110.849 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -92.81 46.43 1.23 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.806 0.813 . . . . 0.0 109.695 -178.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.727 HG12 ' HB2' ' A' ' 99' ' ' PHE . 10.1 tp -143.5 152.24 16.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.263 -177.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -84.92 -93.4 0.08 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.908 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -143.99 -80.64 0.19 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.828 0.347 . . . . 0.0 111.702 -177.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.421 ' HE3' ' HB2' ' A' ' 97' ' ' LYS . 37.9 ttmt -61.65 -39.13 90.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.28 -171.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.492 ' O ' HG13 ' A' ' 102' ' ' ILE . 50.8 mtm180 -65.1 -26.86 68.4 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.022 -177.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . 0.727 ' HB2' HG12 ' A' ' 94' ' ' ILE . 76.2 t80 -68.9 -49.7 55.9 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.295 0.569 . . . . 0.0 109.609 176.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 63.5 tttp -62.28 -44.74 95.84 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.219 179.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -56.82 -43.5 81.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.486 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.568 HG23 HD11 ' A' ' 85' ' ' LEU . 71.3 mt -60.43 -42.77 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.199 175.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' THR . . . . . 0.492 HG21 ' HB1' ' A' ' 21' ' ' ALA . 23.1 m -62.04 -47.42 84.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.232 0.539 . . . . 0.0 110.469 177.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 100' ' ' LYS . 33.3 mm-40 -60.75 -49.49 77.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.491 -177.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.8 p -61.1 -39.53 90.33 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.765 0.317 . . . . 0.0 111.34 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.514 HG11 HG12 ' A' ' 78' ' ' VAL . 77.4 t -65.13 -56.57 14.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.439 176.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 48.1 mt -56.83 -42.2 79.2 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.917 -178.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -57.45 -50.66 72.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.519 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.474 ' HB ' HG22 ' A' ' 78' ' ' VAL . 25.2 m -70.54 -38.98 74.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.216 -178.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.57 ' HB3' HG12 ' A' ' 14' ' ' ILE . 71.1 mt -56.38 -43.16 78.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.724 0.297 . . . . 0.0 111.137 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -65.0 -35.73 82.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.153 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.2 -37.02 75.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.997 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.477 HG21 HG22 ' A' ' 70' ' ' VAL . 48.3 t -77.48 -46.63 27.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.229 -178.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -56.75 -38.34 72.3 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.583 -178.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.02 -46.97 82.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.837 -178.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -67.15 -40.01 86.63 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.491 0.186 . . . . 0.0 111.411 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 113' ' ' VAL . 80.6 mt -57.34 -46.55 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.037 0.446 . . . . 0.0 110.474 178.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.18 -27.74 61.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.785 178.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -66.11 -53.58 36.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.205 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.461 -177.679 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.506 ' HA ' ' HE1' ' A' ' 9' ' ' MET . 43.5 tp . . . . . 0 CA--C 1.53 0.173 0 CA-C-O 121.573 0.702 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.1 tp -77.63 -53.02 8.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.62 -171.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -39.22 93.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 111.805 -175.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' MET . . . . . 0.506 ' HE1' ' HA ' ' A' ' 6' ' ' LEU . 62.7 mtm -59.62 -39.55 84.63 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.634 176.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.515 ' O ' HG13 ' A' ' 14' ' ' ILE . 58.4 m -68.22 -45.53 73.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.286 175.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -55.0 -47.4 74.69 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.448 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . 0.432 ' O ' HG22 ' A' ' 16' ' ' VAL . 53.0 tt0 -64.55 -41.61 96.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.377 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 48.3 ttm -63.11 -40.84 98.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.806 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 10' ' ' THR . 74.9 mt -60.97 -46.38 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.078 0.466 . . . . 0.0 110.425 177.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.3 -46.15 88.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.774 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 12' ' ' GLN . 92.6 t -61.66 -42.62 94.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.172 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.48 -48.87 73.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.835 0.35 . . . . 0.0 110.709 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.51 -47.62 83.53 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.47 178.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -75.76 -24.68 56.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.5 -177.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.54 -44.96 95.81 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 172.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.476 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -63.89 -43.76 95.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.975 0.417 . . . . 0.0 110.28 175.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -61.5 -37.44 83.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.177 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -68.73 -39.37 80.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.971 0.415 . . . . 0.0 110.18 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.503 ' HE1' ' HB3' ' A' ' 92' ' ' HIS . 45.5 t80 -64.39 -37.32 87.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.671 175.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 27.4 mt-30 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.248 176.709 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.531 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 28.2 ttpp . . . . . 0 CA--C 1.538 0.485 0 CA-C-O 119.569 -0.253 . . . . 0.0 111.41 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.531 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 44.4 Cg_endo -67.18 -45.62 3.71 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.768 1.645 . . . . 0.0 112.984 -173.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.64 -38.66 85.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.83 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 42.6 t -62.25 -48.46 88.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.742 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -61.77 -44.73 96.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.327 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.16 -52.3 66.13 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.017 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . 0.444 ' N ' HD21 ' A' ' 47' ' ' ASN . 0.9 OUTLIER -66.99 -32.85 74.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.372 -176.372 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -55.31 -56.3 21.68 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.943 177.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -72.91 -31.32 64.57 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.279 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.1 tp -57.24 -51.52 69.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.148 0.499 . . . . 0.0 110.162 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.778 ' HB3' ' HG3' ' A' ' 79' ' ' LYS . . . -68.57 -36.36 78.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.445 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.86 -49.66 69.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.735 0.302 . . . . 0.0 110.859 178.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.81 -44.8 90.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.45 178.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -60.25 -49.65 76.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.69 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.87 -41.68 92.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.119 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.02 -46.92 86.99 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 120.968 0.413 . . . . 0.0 110.995 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.489 ' HA3' HD13 ' A' ' 6' ' ' LEU . . . -69.36 -36.14 77.65 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.266 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.18 -40.75 86.61 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.803 0.335 . . . . 0.0 111.092 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.5 mt -63.72 -36.02 82.49 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.109 0.481 . . . . 0.0 110.546 176.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -63.79 -45.36 90.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.137 172.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.39 -48.21 82.73 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.245 -177.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 38.2 pt -73.09 -8.78 12.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -175.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -82.09 -48.14 11.72 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 176.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.2 t -85.22 -44.23 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.326 -176.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.526 ' HD3' ' OE2' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -101.53 141.4 34.46 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.63 -175.011 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -68.23 119.64 69.08 Favored Pre-proline 0 C--O 1.235 0.324 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.617 172.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -74.23 107.76 2.51 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 123.057 2.505 . . . . 0.0 111.036 176.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -110.16 -36.79 5.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.656 -174.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -102.02 -39.02 7.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.3 p -92.41 158.93 2.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.624 174.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -136.19 158.76 43.65 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -57.77 -49.15 77.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.13 -177.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.21 -39.22 75.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.074 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -63.17 -34.68 78.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.908 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.1 mm -62.81 -44.63 99.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.897 0.379 . . . . 0.0 111.108 -177.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -70.66 -41.34 72.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.063 0.459 . . . . 0.0 109.868 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.06 -45.15 93.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.623 -178.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.477 HG11 HG11 ' A' ' 106' ' ' VAL . 76.8 t -68.58 -41.0 82.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 121.168 -0.213 . . . . 0.0 111.424 -177.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LYS . . . . . 0.778 ' HG3' ' HB3' ' A' ' 51' ' ' ALA . 86.6 tttt -57.41 -44.3 84.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.232 0.539 . . . . 0.0 110.19 177.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.52 -51.36 51.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.017 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -65.08 -28.9 69.77 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.666 -177.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PHE . . . . . 0.402 ' O ' HG23 ' A' ' 86' ' ' VAL . 58.6 t80 -65.47 -50.89 63.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.885 0.374 . . . . 0.0 110.087 177.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.65 -35.09 79.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.459 177.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -60.34 -50.16 74.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.18 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.03 -48.53 73.29 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.485 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 82' ' ' PHE . 58.5 t -59.43 -45.27 93.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.906 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.4 tp -65.09 -48.06 75.03 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.009 0.433 . . . . 0.0 111.035 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -71.74 -15.78 62.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -69.7 -33.55 72.68 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -76.05 -53.39 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.26 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.2 m -85.37 -33.83 8.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' HIS . . . . . 0.503 ' HB3' ' HE1' ' A' ' 24' ' ' TYR . 18.2 p80 37.05 81.48 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.264 1.025 . . . . 0.0 113.601 -177.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -102.07 -0.33 33.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.146 0.498 . . . . 0.0 110.232 173.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 34.7 pt -91.12 158.03 2.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 173.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -83.05 -69.7 0.61 Allowed 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.27 -177.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -164.85 -43.57 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.336 -172.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -61.65 -43.37 98.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.105 -172.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -64.77 -34.42 78.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.622 0.249 . . . . 0.0 111.237 -179.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -64.5 -37.07 86.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.141 -174.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -62.2 -52.16 64.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.316 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -57.91 -45.57 86.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.315 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 77.2 mt -57.13 -50.32 76.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.307 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.2 m -58.42 -45.44 88.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.428 178.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -60.32 -50.31 74.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.579 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.2 t -62.3 -42.75 99.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.142 -176.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.595 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 98.0 t -66.73 -56.95 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.651 179.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.85 -45.37 82.45 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.88 -177.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -57.35 -45.88 83.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.81 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' THR . . . . . 0.441 ' HB ' HG21 ' A' ' 78' ' ' VAL . 25.8 m -69.59 -37.9 77.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 83.3 mt -58.49 -44.55 89.43 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.674 0.273 . . . . 0.0 110.472 177.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -64.99 -34.35 78.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.685 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.47 -41.91 92.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 117' ' ' ILE . 55.2 t -72.06 -47.98 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.126 0.489 . . . . 0.0 109.84 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' LYS . . . . . 0.43 ' HD3' ' C ' ' A' ' 114' ' ' LYS . 1.3 tmtp? -59.33 -42.91 92.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.375 -178.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -63.53 -47.59 80.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.273 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 21.4 mt-10 -61.57 -45.73 92.88 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 121.221 -0.192 . . . . 0.0 110.924 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 113' ' ' VAL . 84.1 mt -57.44 -50.33 77.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.957 0.408 . . . . 0.0 110.92 177.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.43 -11.76 60.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.574 -177.593 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -92.85 -53.04 4.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.188 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.526 ' OE2' ' HD3' ' A' ' 65' ' ' ARG . 5.2 mm-40 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.741 -176.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.3 mtm . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.792 0.329 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 49.3 tp -103.51 92.12 4.33 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 171.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -129.13 131.1 47.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.725 -170.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -90.21 82.09 6.05 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 170.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.7 p -54.16 -59.05 5.17 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -169.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.0 tp -62.74 -30.12 71.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.045 0.45 . . . . 0.0 111.115 -176.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.663 HD22 ' HG2' ' A' ' 114' ' ' LYS . 1.7 tm? -72.45 -47.92 45.08 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.59 -39.58 88.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.59 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.4 ' O ' ' HG3' ' A' ' 13' ' ' MET . 77.1 mtp -57.59 -44.03 85.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.425 175.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.448 ' O ' HG13 ' A' ' 14' ' ' ILE . 30.9 m -66.21 -49.39 67.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.618 178.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -52.99 -41.15 64.33 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 111.443 175.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.403 ' O ' HG23 ' A' ' 16' ' ' VAL . 52.7 tp60 -63.2 -46.17 88.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.687 177.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.4 ' HG3' ' O ' ' A' ' 9' ' ' MET . 90.1 mtp -63.11 -34.36 77.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.973 -179.598 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.448 HG13 ' O ' ' A' ' 10' ' ' THR . 83.8 mt -61.98 -42.55 95.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.489 176.147 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -66.6 -43.07 85.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.634 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.56 ' HB ' ' HZ ' ' A' ' 82' ' ' PHE . 58.5 t -61.41 -42.4 93.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.561 0.219 . . . . 0.0 110.624 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.69 -51.38 70.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.792 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -65.48 -32.94 74.82 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.723 178.11 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -63.63 -45.68 89.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.583 0.23 . . . . 0.0 110.701 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.24 -41.08 96.99 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.845 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.408 ' HA ' ' HE2' ' A' ' 99' ' ' PHE . . . -65.39 -42.12 92.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.384 . . . . 0.0 110.586 177.5 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -66.16 -38.95 89.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.597 177.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.41 HH11 ' HD3' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -57.52 -47.47 81.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.433 -179.636 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -75.46 -33.7 60.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.949 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -57.71 -53.01 62.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.305 -178.275 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.85 -41.4 19.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.34 -177.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -44.87 85.11 0.01 OUTLIER Glycine 0 C--N 1.344 0.973 0 O-C-N 124.645 1.216 . . . . 0.0 114.705 -171.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.7 tttt 169.81 -34.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -78.88 -54.2 6.3 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.392 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 m -86.55 152.0 23.0 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.876 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -69.23 107.54 3.28 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 174.173 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -111.79 97.99 7.08 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.388 0.613 . . . . 0.0 111.065 -174.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.9 p -102.7 123.78 47.02 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.584 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -145.81 159.12 43.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.384 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -120.9 136.2 55.0 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.558 ' HA ' HD12 ' A' ' 40' ' ' ILE . 58.4 t80 -84.93 75.5 10.36 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.579 -177.531 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.413 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 54.3 t80 -173.33 -52.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.351 175.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -64.18 -73.76 0.11 Allowed 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -172.419 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.6 t -83.05 -14.29 54.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.93 0.395 . . . . 0.0 111.78 -172.672 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.558 HD12 ' HA ' ' A' ' 36' ' ' PHE . 46.1 mt -89.79 -24.94 5.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.421 -175.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.476 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 28.5 tptp -56.61 -54.95 48.14 Favored Pre-proline 0 CA--C 1.537 0.468 0 CA-C-N 116.876 -0.147 . . . . 0.0 111.241 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.608 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 44.0 Cg_endo -69.41 -34.52 15.56 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.84 1.693 . . . . 0.0 112.278 177.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.29 -38.98 74.79 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.484 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.464 HG22 ' O ' ' A' ' 40' ' ' ILE . 86.4 t -63.65 -45.91 96.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.425 177.14 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -60.94 -45.08 96.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.481 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.608 ' HG2' ' O ' ' A' ' 42' ' ' PRO . 5.6 mm-40 -55.62 -57.2 12.97 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -63.03 -39.0 93.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.56 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.32 -50.14 74.67 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.823 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.83 -40.51 88.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.151 176.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.8 tp -58.19 -53.78 54.46 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.926 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.607 ' HB1' ' HG2' ' A' ' 79' ' ' LYS . . . -62.16 -42.02 98.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.966 -178.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.73 99.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.994 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -71.79 -42.61 66.9 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.769 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 81.2 t90 -62.19 -47.62 83.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.773 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.47 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.77 -45.84 85.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.987 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.26 -44.35 60.02 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.734 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.99 99.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.721 0.296 . . . . 0.0 111.036 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.1 mt -61.15 -36.41 79.73 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.935 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -67.35 -46.85 72.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.924 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.62 -46.58 88.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.828 -177.148 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.803 ' HB ' ' HD3' ' A' ' 67' ' ' PRO . 40.5 pt -71.64 -17.61 19.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 111.19 -178.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -81.13 -40.73 23.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 175.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 77.3 t -68.49 -52.38 37.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.903 0.383 . . . . 0.0 110.319 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.455 ' HA ' ' HE ' ' A' ' 65' ' ' ARG . 0.3 OUTLIER -87.27 -106.14 0.07 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.774 178.682 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.692 ' HA ' ' HE ' ' A' ' 66' ' ' ARG . 0.1 OUTLIER 172.91 123.69 0.08 OUTLIER Pre-proline 0 C--N 1.332 -0.191 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.215 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.803 ' HD3' ' HB ' ' A' ' 62' ' ' ILE . 24.7 Cg_endo -63.37 103.05 0.35 Allowed 'Trans proline' 0 C--O 1.238 0.486 0 C-N-CA 122.326 2.018 . . . . 0.0 111.91 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -93.23 -53.26 4.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.792 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -96.89 -37.96 10.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.466 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.6 p -79.31 152.29 4.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.024 0.44 . . . . 0.0 110.524 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.433 ' HD2' ' HB3' ' A' ' 73' ' ' GLU . 7.2 t60 -107.67 132.37 53.4 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -58.15 -48.94 78.72 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.594 0.235 . . . . 0.0 111.261 -174.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.433 ' HB3' ' HD2' ' A' ' 71' ' ' HIS . 29.5 tt0 -52.54 -37.52 57.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.877 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -67.45 -37.41 82.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.13 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.445 HD13 HD12 ' A' ' 62' ' ' ILE . 71.4 mt -63.28 -45.31 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.116 0.484 . . . . 0.0 109.941 176.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -66.75 -34.93 78.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.426 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.76 -46.82 43.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.406 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.409 ' O ' ' HB2' ' A' ' 82' ' ' PHE . 40.7 t -57.97 -40.39 76.36 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.336 0 CA-C-N 116.827 -0.17 . . . . 0.0 111.381 -178.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.607 ' HG2' ' HB1' ' A' ' 51' ' ' ALA . 13.3 tmtt? -53.99 -49.06 69.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.322 0.582 . . . . 0.0 110.912 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -76.43 -45.91 29.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.441 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -64.21 -31.64 72.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.19 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.56 ' HZ ' ' HB ' ' A' ' 16' ' ' VAL . 44.1 t80 -64.56 -39.09 93.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.797 0.332 . . . . 0.0 110.347 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 65.4 mt -64.78 -42.96 94.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.643 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.38 -30.48 67.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.829 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.45 HD13 HG23 ' A' ' 102' ' ' ILE . 6.6 tt -60.31 -53.16 60.94 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 177.317 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.4 t -59.04 -43.07 88.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.456 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.486 ' O ' HG23 ' A' ' 91' ' ' VAL . 58.1 tp -58.9 -58.85 6.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.873 179.153 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.437 ' HB3' ' HB ' ' A' ' 94' ' ' ILE . 2.5 mp0 -62.75 -27.37 69.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.026 -176.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.4 t -61.72 -44.16 97.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.936 0.398 . . . . 0.0 110.932 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -90.43 -37.95 13.6 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -175.568 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.486 HG23 ' O ' ' A' ' 87' ' ' LEU . 21.2 m -81.29 -16.09 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.568 -177.461 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 57.3 m170 65.26 26.56 12.21 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 122.797 0.439 . . . . 0.0 111.543 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 77.0 t60 -76.26 -12.74 60.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.172 0.511 . . . . 0.0 110.362 178.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.742 HG12 ' HB2' ' A' ' 99' ' ' PHE . 10.1 tp -84.49 151.39 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.675 178.103 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -87.28 -76.96 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.135 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -153.76 -76.07 0.12 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.992 0.425 . . . . 0.0 112.047 -176.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.419 ' HA ' ' HD3' ' A' ' 97' ' ' LYS . 72.6 mmtt -64.35 -36.75 85.14 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -167.648 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -68.64 -29.65 68.19 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.607 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.742 ' HB2' HG12 ' A' ' 94' ' ' ILE . 47.7 t80 -66.77 -46.79 74.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.159 0.504 . . . . 0.0 110.21 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -73.2 -29.01 62.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.204 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -68.12 -48.94 64.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.253 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.467 ' O ' HG23 ' A' ' 106' ' ' VAL . 80.6 mt -59.86 -46.72 93.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.219 176.501 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 38.4 m -57.97 -44.62 87.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 110.584 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -61.53 -45.13 95.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.585 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.7 m -63.47 -38.91 92.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.625 0.25 . . . . 0.0 111.081 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 102' ' ' ILE . 72.3 t -65.29 -52.03 57.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.415 177.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 88.7 mt -57.37 -43.94 83.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.948 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -54.97 -54.32 44.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.982 175.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.491 ' O ' HG22 ' A' ' 113' ' ' VAL . 46.7 m -63.13 -44.87 94.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.408 -177.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.416 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 86.8 mt -61.01 -38.62 86.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.247 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -64.8 -37.0 86.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.833 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.7 -40.73 76.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.523 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.544 ' O ' HG13 ' A' ' 117' ' ' ILE . 61.9 t -68.33 -43.16 84.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.195 0.522 . . . . 0.0 109.616 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.663 ' HG2' HD22 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -54.42 -40.29 68.14 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.55 179.569 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -65.38 -51.82 57.79 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.85 178.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -69.9 -26.79 64.33 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -174.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 113' ' ' VAL . 75.2 mt -63.13 -50.7 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.133 0.492 . . . . 0.0 110.004 172.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.47 -18.76 60.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.503 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.2 ttt85 -72.13 -31.15 65.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.27 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -84.29 -43.21 15.04 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 171.548 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 35.5 t70 73.04 123.98 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.188 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.4 p -89.88 151.32 21.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.872 -173.718 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 . . . . . 0 C--N 1.325 -0.462 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 174.109 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 111.341 0.126 . . . . 0.0 111.341 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.441 HD22 ' N ' ' A' ' 3' ' ' SER . 3.4 tt -63.78 127.11 29.94 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.1 0.476 . . . . 0.0 109.896 -177.757 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.547 ' HB3' ' HA ' ' A' ' 8' ' ' GLU . 14.8 m -76.55 86.51 3.25 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.35 -177.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -143.53 177.23 8.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.529 174.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.426 ' HB ' ' H ' ' A' ' 6' ' ' LEU . 4.9 m 62.34 -98.52 0.08 Allowed 'General case' 0 CA--C 1.535 0.371 0 O-C-N 123.514 0.509 . . . . 0.0 111.013 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.426 ' H ' ' HB ' ' A' ' 5' ' ' THR . 43.6 tp -120.95 -6.32 9.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.609 0.719 . . . . 0.0 109.171 177.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -45.23 70.24 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.011 -176.326 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.547 ' HA ' ' HB3' ' A' ' 3' ' ' SER . 3.5 tm-20 -57.05 -50.49 72.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.975 0.416 . . . . 0.0 110.364 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 57.4 mtp -59.13 -34.96 72.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.123 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.5 ' O ' HG13 ' A' ' 14' ' ' ILE . 30.8 m -72.96 -49.07 31.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.27 176.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -54.54 -42.13 70.56 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.625 177.398 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.4 ' O ' HG23 ' A' ' 16' ' ' VAL . 7.0 tm0? -63.17 -44.96 93.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.857 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.454 ' SD ' HD21 ' A' ' 110' ' ' LEU . 50.9 ttm -61.77 -39.3 91.18 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.628 177.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.5 HG13 ' O ' ' A' ' 10' ' ' THR . 66.1 mt -63.68 -43.82 98.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 120.94 0.4 . . . . 0.0 110.594 176.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.23 -46.01 91.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.009 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 12' ' ' GLN . 70.5 t -62.84 -41.86 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.724 178.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.51 -52.03 66.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.863 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -55.55 -54.99 37.1 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.443 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.54 ' HA ' ' HB3' ' A' ' 22' ' ' ASP . 2.3 mptp? -70.64 -20.58 62.71 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -174.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.42 -48.44 44.64 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.239 -0.981 . . . . 0.0 111.213 174.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.63 -35.33 78.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.106 0.479 . . . . 0.0 109.918 175.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.54 ' HB3' ' HA ' ' A' ' 19' ' ' LYS . 23.3 t70 -58.0 -46.9 84.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.602 175.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -70.21 -35.0 73.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.517 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -66.73 -35.93 81.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.146 0.498 . . . . 0.0 109.946 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -64.91 -45.46 85.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.097 176.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -64.77 -57.36 9.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.232 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.87 -114.24 3.53 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.185 176.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -116.54 -36.96 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -174.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.5 t30 65.61 -78.96 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.823 0.702 . . . . 0.0 109.974 -172.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.8 t -165.8 122.0 1.34 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -79.33 88.03 4.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.971 0.415 . . . . 0.0 110.133 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -106.88 87.56 2.54 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 175.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.3 m 63.33 94.29 0.05 Allowed 'General case' 0 CA--C 1.532 0.272 0 O-C-N 123.799 0.687 . . . . 0.0 111.089 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -156.52 129.57 7.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.437 -175.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -146.49 155.14 42.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.309 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.46 ' HA ' HD13 ' A' ' 40' ' ' ILE . 60.0 t80 -71.43 -48.19 51.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.209 -177.563 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -79.38 -16.47 56.17 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -170.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -79.53 -30.21 41.75 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -177.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 11.3 t -131.21 -25.61 2.2 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -175.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.46 HD13 ' HA ' ' A' ' 36' ' ' PHE . 26.6 mt -95.11 -4.3 10.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.339 0.59 . . . . 0.0 110.841 -173.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.443 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 25.6 ttpp -53.03 -55.34 34.62 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.484 -178.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.443 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 57.8 Cg_endo -72.01 -16.31 28.99 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.884 1.723 . . . . 0.0 112.885 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.35 -34.43 68.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.008 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.2 t -63.52 -36.26 75.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.391 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -65.84 -48.63 71.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.636 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -54.86 -59.74 4.31 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.835 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -59.79 -36.09 75.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.004 -175.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.526 ' HA ' HD21 ' A' ' 83' ' ' LEU . 30.2 t70 -64.87 -52.16 58.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.505 0.193 . . . . 0.0 110.775 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -61.87 -39.16 90.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.061 0.458 . . . . 0.0 110.767 176.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 tp -59.28 -53.24 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.488 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.37 -38.17 90.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.071 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.511 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . . . -61.39 -54.64 41.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -33.32 74.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.416 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -62.12 -50.62 71.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.493 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.35 -44.5 97.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -60.2 -42.53 95.3 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.13 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.92 -42.36 85.91 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.103 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.25 97.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.782 0.325 . . . . 0.0 110.851 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.415 HD22 HD13 ' A' ' 62' ' ' ILE . 71.5 mt -61.78 -41.18 97.39 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.622 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 10.3 tp10 -60.83 -44.16 97.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.36 0.6 . . . . 0.0 110.501 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.54 -45.64 82.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.586 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.73 ' HB ' ' HD3' ' A' ' 67' ' ' PRO . 44.4 pt -74.91 -20.09 16.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -174.58 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.622 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -79.9 -28.28 39.85 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.912 176.517 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.4 t -79.62 -49.72 19.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.205 0.526 . . . . 0.0 110.131 173.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.54 ' O ' ' HA ' ' A' ' 62' ' ' ILE . 37.8 mtp85 -126.79 121.06 30.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.794 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 66' ' ' ARG . 48.2 mtt-85 -52.44 139.97 36.73 Favored Pre-proline 0 C--O 1.236 0.346 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.696 -171.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.73 ' HD3' ' HB ' ' A' ' 62' ' ' ILE . 42.3 Cg_endo -68.38 119.37 6.37 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.871 2.381 . . . . 0.0 111.205 174.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -93.78 -64.57 1.07 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.746 -173.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -80.62 -53.15 6.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.013 0.435 . . . . 0.0 110.886 177.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.561 ' O ' ' HB2' ' A' ' 67' ' ' PRO . 14.8 p -78.29 150.97 5.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.246 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -114.77 154.55 28.34 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -64.85 -33.59 76.36 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -54.42 -44.14 72.13 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.09 174.485 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.417 ' O ' HG22 ' A' ' 78' ' ' VAL . 83.6 mm-40 -67.77 -44.02 78.43 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.771 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.12 -42.56 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.816 0.341 . . . . 0.0 111.11 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -71.1 -33.59 70.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 0.0 110.737 -178.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.41 -43.58 39.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.585 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.417 HG22 ' O ' ' A' ' 74' ' ' GLN . 50.7 t -62.41 -35.15 68.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 -176.041 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.511 ' HE3' ' HA ' ' A' ' 52' ' ' ALA . 78.0 tttt -57.37 -47.56 81.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.073 0.464 . . . . 0.0 110.11 176.278 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.59 -43.44 84.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.353 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 85' ' ' LEU . 91.0 m-20 -62.99 -34.58 77.84 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.262 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.414 ' CE1' ' HG3' ' A' ' 13' ' ' MET . 51.5 t80 -66.99 -50.02 63.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.604 0.24 . . . . 0.0 110.788 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.526 HD21 ' HA ' ' A' ' 48' ' ' ASP . 79.3 mt -63.63 -39.53 94.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.783 0.325 . . . . 0.0 110.389 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 5.8 mm-40 -62.75 -42.86 99.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.718 174.861 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.52 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -57.92 -43.69 86.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.36 -178.841 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 88.1 t -57.01 -49.36 79.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.509 177.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.516 ' O ' HG22 ' A' ' 91' ' ' VAL . 45.2 tp -67.21 -45.58 76.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.422 -177.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.52 ' HG2' ' HA ' ' A' ' 85' ' ' LEU . 20.5 pt20 -67.66 -21.2 65.37 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -175.799 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 67.3 m -71.27 -23.91 62.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.607 0.241 . . . . 0.0 111.164 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -101.33 -57.86 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.425 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.516 HG22 ' O ' ' A' ' 87' ' ' LEU . 33.3 m -76.27 -17.83 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.735 0.302 . . . . 0.0 111.647 -175.531 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.424 ' C ' ' H ' ' A' ' 94' ' ' ILE . 30.7 m170 57.82 43.12 22.24 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.006 175.092 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -80.53 26.11 0.4 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.129 0.49 . . . . 0.0 111.296 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.463 HG21 ' HB2' ' A' ' 88' ' ' GLN . 18.2 tt -154.81 152.25 9.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -178.696 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -100.58 171.38 7.76 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.839 -175.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -47.76 -54.74 11.36 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.88 -171.118 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -60.87 -43.63 98.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.568 -169.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.413 HH11 ' HD2' ' A' ' 98' ' ' ARG . 27.8 mtp85 -79.06 -31.77 44.58 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.496 -178.385 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 49.2 t80 -61.74 -47.84 83.44 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.23 0.538 . . . . 0.0 110.39 178.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -65.01 -41.2 95.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.436 -177.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -68.71 -39.04 80.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.993 -177.228 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.464 ' O ' HG23 ' A' ' 106' ' ' VAL . 43.1 mt -61.25 -44.99 99.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.033 174.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 28.2 m -57.66 -46.03 84.76 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.414 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -56.19 -49.14 74.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.304 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.5 m -59.16 -41.14 87.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.226 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.464 HG23 ' O ' ' A' ' 102' ' ' ILE . 69.9 t -67.6 -50.0 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.378 178.059 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 67.0 mt -58.77 -43.92 90.49 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.354 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -53.68 -52.34 60.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.972 0.415 . . . . 0.0 110.726 176.369 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.414 ' O ' HG22 ' A' ' 113' ' ' VAL . 32.1 m -63.41 -42.58 98.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.31 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.454 HD21 ' SD ' ' A' ' 13' ' ' MET . 91.9 mt -61.93 -37.47 84.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.581 -178.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 57.9 m170 -64.77 -41.62 95.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.141 0.496 . . . . 0.0 109.887 177.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.57 92.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.592 -177.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.581 ' O ' HG13 ' A' ' 117' ' ' ILE . 99.8 t -69.57 -45.78 77.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.932 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -56.92 -49.03 76.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.515 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.89 -37.5 86.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.976 -177.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.665 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 18.2 mm-40 -63.57 -43.46 96.94 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.819 177.129 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.581 HG13 ' O ' ' A' ' 113' ' ' VAL . 86.7 mt -55.02 -51.89 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 110.875 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.24 -27.51 65.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.018 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -68.73 -51.56 40.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.932 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.665 ' HG2' ' O ' ' A' ' 116' ' ' GLU . 3.3 mm-40 -65.95 -38.06 87.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.69 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 38.9 t70 72.36 135.81 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.631 171.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.0 t -164.13 98.7 0.84 Allowed 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.206 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 121.32 0.581 . . . . 0.0 109.721 177.311 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptm . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.596 0.236 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 61.6 tp -75.22 116.67 16.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.985 0.421 . . . . 0.0 110.912 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 p -107.18 148.45 28.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.585 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.413 ' HG3' HD22 ' A' ' 7' ' ' LEU . 2.3 mp0 56.93 80.04 0.17 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.169 0.509 . . . . 0.0 111.324 -178.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 p -70.85 -44.3 66.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.093 -175.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.8 tp -131.75 -15.39 3.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.989 0.423 . . . . 0.0 110.337 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.413 HD22 ' HG3' ' A' ' 4' ' ' GLN . 54.8 tp -57.64 -53.54 56.97 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.489 -177.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -65.02 -36.57 84.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.622 0.249 . . . . 0.0 110.92 -177.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 81.5 mtp -59.55 -43.51 93.53 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.078 0.466 . . . . 0.0 110.556 178.075 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.489 ' O ' HG13 ' A' ' 14' ' ' ILE . 23.9 m -67.57 -47.4 69.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.462 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -56.28 -46.27 79.8 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.199 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.455 ' O ' HG23 ' A' ' 16' ' ' VAL . 64.8 tt0 -63.74 -41.41 98.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 49.9 ttm -62.16 -39.44 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.317 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.489 HG13 ' O ' ' A' ' 10' ' ' THR . 77.2 mt -59.75 -50.94 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.175 175.633 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.02 -46.8 87.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.243 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.455 HG23 ' O ' ' A' ' 12' ' ' GLN . 93.5 t -59.01 -43.46 89.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.787 0.327 . . . . 0.0 110.8 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.7 83.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.766 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.53 -42.42 98.44 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.394 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -68.85 -33.21 73.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.701 0.286 . . . . 0.0 110.906 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.27 -40.44 92.11 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.564 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.489 ' HA ' ' CE2' ' A' ' 99' ' ' PHE . . . -65.26 -41.65 94.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.074 0.464 . . . . 0.0 110.476 176.307 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.5 -38.03 88.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.568 176.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -70.56 -34.21 71.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.935 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -71.18 -35.4 71.58 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 174.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -63.29 -43.59 97.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.564 177.089 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -67.92 -34.62 76.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.035 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.97 -58.57 4.8 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -176.394 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -96.34 175.92 6.25 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 174.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -168.47 -168.3 0.9 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.0 m -64.99 -28.2 69.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.867 0.365 . . . . 0.0 110.719 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.504 HD22 ' HB3' ' A' ' 34' ' ' TYR . 2.8 t-20 -79.4 97.48 6.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.175 0.512 . . . . 0.0 109.714 176.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -102.54 -37.69 7.87 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.691 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.8 m -105.07 117.86 35.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.504 ' HB3' HD22 ' A' ' 31' ' ' ASN . 26.5 p90 -172.71 163.03 5.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.819 -178.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -158.4 92.9 1.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.308 -0.406 . . . . 0.0 109.997 170.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 73.4 t80 62.78 -78.95 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.783 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -80.54 30.43 0.3 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.282 0.563 . . . . 0.0 112.041 -168.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -116.92 -61.67 1.69 Allowed 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 173.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.539 ' HB ' HD11 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -75.46 -43.72 48.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.168 177.28 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.539 HD11 ' HB ' ' A' ' 39' ' ' THR . 4.4 mp -91.31 81.72 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.734 -178.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.599 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 69.6 tttt -163.34 -60.24 0.01 OUTLIER Pre-proline 0 CA--C 1.538 0.482 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.065 177.449 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.599 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 2.6 Cg_exo -75.62 -52.25 0.1 Allowed 'Trans proline' 0 C--N 1.358 1.053 0 C-N-CA 121.797 1.665 . . . . 0.0 112.191 -174.777 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.89 -39.95 91.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.181 -178.077 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.416 HG21 HG22 ' A' ' 40' ' ' ILE . 56.3 t -57.03 -46.94 84.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.954 -178.324 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -71.32 -45.54 62.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.467 -178.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -61.69 -52.28 64.95 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.851 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.434 HD21 ' HE2' ' A' ' 82' ' ' PHE . 16.1 m120 -64.86 -28.11 69.33 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.097 0.248 . . . . 0.0 111.44 -177.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -60.23 -54.03 50.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.739 0.304 . . . . 0.0 110.262 174.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -68.48 -34.76 76.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.509 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.7 tp -58.4 -53.12 61.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.06 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.26 -32.99 73.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.141 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.06 -49.72 73.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.792 0.329 . . . . 0.0 110.781 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -38.18 87.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.459 178.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -63.16 -43.89 97.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.31 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.75 80.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.975 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.31 -42.31 98.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.243 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.13 -42.66 83.59 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.19 178.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.433 ' O ' HG12 ' A' ' 62' ' ' ILE . . . -64.78 -36.37 84.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.578 0.228 . . . . 0.0 110.661 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.55 HD23 HD11 ' A' ' 62' ' ' ILE . 32.9 mt -61.79 -34.19 75.44 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.75 175.524 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 9.7 tp10 -71.09 -43.42 67.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.914 175.384 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.29 -47.29 84.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.637 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.55 HD11 HD23 ' A' ' 59' ' ' LEU . 36.4 pt -73.98 -11.81 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.003 0.43 . . . . 0.0 110.966 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -77.31 -33.99 55.5 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 174.786 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.6 t -88.87 -49.32 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.077 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.875 ' HD2' ' HA ' ' A' ' 120' ' ' GLU . 4.6 mmp_? -81.14 -32.29 33.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.071 -176.553 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.453 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 3.3 mpt_? 71.83 137.85 0.05 OUTLIER Pre-proline 0 N--CA 1.465 0.293 0 O-C-N 123.981 0.8 . . . . 0.0 110.341 -170.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.424 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 36.9 Cg_exo -60.57 103.98 0.24 Allowed 'Trans proline' 0 CA--C 1.53 0.275 0 C-N-CA 122.944 2.429 . . . . 0.0 112.664 -177.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -102.99 -53.91 2.73 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -86.19 -56.97 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.301 0.572 . . . . 0.0 110.151 175.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.433 HG21 HG23 ' A' ' 109' ' ' THR . 10.0 p -84.79 161.06 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.776 -176.045 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.466 ' O ' ' HB2' ' A' ' 74' ' ' GLN . 73.9 t60 -110.02 141.69 42.48 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -56.3 -44.38 79.8 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 117.949 0.34 . . . . 0.0 111.647 -172.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -55.54 -27.09 46.86 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.622 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.597 ' O ' HG21 ' A' ' 78' ' ' VAL . 72.6 mm-40 -71.06 -45.31 64.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.22 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.7 mp -55.6 -45.82 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 121.141 0.496 . . . . 0.0 110.573 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -72.56 -28.35 62.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.187 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.59 -34.24 40.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.597 HG21 ' O ' ' A' ' 74' ' ' GLN . 47.4 t -55.59 -42.45 68.76 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.353 -179.108 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.421 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 75.9 tttt -54.94 -52.93 61.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.958 0.409 . . . . 0.0 111.148 -178.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.69 -43.08 66.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.048 -176.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -64.11 -33.94 76.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.267 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.434 ' HE2' HD21 ' A' ' 47' ' ' ASN . 64.3 t80 -69.05 -43.08 75.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.455 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 79' ' ' LYS . 94.5 mt -62.13 -41.9 98.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.032 0.444 . . . . 0.0 110.262 177.706 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.5 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 15.0 tp10 -63.1 -44.73 94.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.092 175.358 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.418 HD11 ' HA ' ' A' ' 103' ' ' THR . 6.8 tt -55.66 -49.82 71.87 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.814 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.1 t -61.37 -43.95 97.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.734 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.6 ' O ' HG21 ' A' ' 91' ' ' VAL . 57.1 tp -64.23 -53.16 53.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -178.216 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.5 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 13.7 pt20 -61.91 -26.54 68.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.611 -176.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.5 t -65.92 -39.62 90.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.731 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -88.28 -49.36 7.03 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.6 HG21 ' O ' ' A' ' 87' ' ' LEU . 34.5 m -76.5 -21.18 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.655 -175.491 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 33.9 m170 61.81 41.72 11.39 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 122.634 0.374 . . . . 0.0 111.94 176.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -89.1 28.88 1.13 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.316 179.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 23.3 pt -140.15 -178.31 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.16 0.505 . . . . 0.0 110.824 179.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -104.03 155.69 18.47 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 170.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -53.5 -42.52 67.43 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -171.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.56 ' HZ1' ' HB2' ' A' ' 97' ' ' LYS . 4.4 ttmp? -61.03 -35.66 77.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.704 0.288 . . . . 0.0 111.656 -177.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -64.68 -35.96 82.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.171 0.51 . . . . 0.0 110.506 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.489 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 77.3 t80 -66.76 -43.56 83.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.291 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -63.55 -46.38 86.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.488 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.55 -54.48 45.45 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.117 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.457 ' O ' HG23 ' A' ' 106' ' ' VAL . 67.5 mt -59.68 -47.29 91.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.948 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.418 ' HA ' HD11 ' A' ' 85' ' ' LEU . 41.2 m -60.45 -45.8 92.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 111.037 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -65.93 -43.54 87.77 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.56 -177.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.9 t -58.83 -41.09 86.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.64 177.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.457 HG23 ' O ' ' A' ' 102' ' ' ILE . 95.4 t -69.17 -48.93 66.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.716 178.668 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.42 -41.93 86.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.646 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -60.28 -46.61 89.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.906 0.384 . . . . 0.0 110.222 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.451 ' O ' HG23 ' A' ' 113' ' ' VAL . 55.4 m -60.8 -45.58 93.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.095 179.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 96.0 mt -59.71 -41.32 90.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.286 -178.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -68.54 -32.47 72.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.43 -40.69 77.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.906 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.452 ' O ' HG13 ' A' ' 117' ' ' ILE . 63.6 t -71.94 -39.75 67.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.138 0.494 . . . . 0.0 110.134 -178.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -60.46 -37.97 82.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.586 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -72.93 -34.68 66.74 Favored 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.434 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -63.11 -40.48 97.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.263 0.554 . . . . 0.0 109.987 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 113' ' ' VAL . 79.8 mt -62.21 -39.82 85.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.32 176.343 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.89 -30.28 67.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.295 0.569 . . . . 0.0 110.259 175.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -80.08 -4.48 52.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.654 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.875 ' HA ' ' HD2' ' A' ' 65' ' ' ARG . 7.9 tp10 -72.6 -3.85 27.27 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.506 0.67 . . . . 0.0 109.793 169.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 37.5 t70 61.91 68.89 0.66 Allowed 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.289 -174.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.6 p -82.05 126.4 31.95 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.301 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.9 179.478 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 120.715 0.293 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.7 mt -55.62 128.77 36.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.845 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.6 ' HB3' ' HB3' ' A' ' 8' ' ' GLU . 24.2 m 57.74 84.81 0.09 Allowed 'General case' 0 CA--C 1.53 0.207 0 O-C-N 123.789 0.681 . . . . 0.0 111.11 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.479 ' H ' ' HB3' ' A' ' 7' ' ' LEU . 9.1 pt20 -120.06 100.83 7.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.099 0.476 . . . . 0.0 112.168 -176.401 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.9 m 70.57 -71.79 0.12 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 114.911 -1.04 . . . . 0.0 112.684 169.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.486 ' HA ' ' HE1' ' A' ' 9' ' ' MET . 55.7 tp -98.32 -23.53 15.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.463 0.649 . . . . 0.0 110.343 -177.523 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.481 ' HG ' ' HG2' ' A' ' 11' ' ' GLU . 34.3 tp -74.54 -37.0 63.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.223 -175.709 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.6 ' HB3' ' HB3' ' A' ' 3' ' ' SER . 7.0 pt-20 -59.56 -42.76 93.15 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -172.549 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.486 ' HE1' ' HA ' ' A' ' 6' ' ' LEU . 4.3 mpp? -62.02 -40.03 94.32 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.282 176.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.458 ' O ' HG12 ' A' ' 14' ' ' ILE . 41.1 m -63.84 -48.6 76.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.168 176.783 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.481 ' HG2' ' HG ' ' A' ' 7' ' ' LEU . 19.5 mm-40 -57.7 -43.16 84.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.352 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.492 ' O ' HG22 ' A' ' 16' ' ' VAL . 55.2 tp60 -67.39 -40.55 85.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.409 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.597 ' SD ' HD22 ' A' ' 110' ' ' LEU . 47.4 ttm -66.64 -36.94 83.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.243 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 10' ' ' THR . 18.0 mm -55.2 -47.79 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.216 0.531 . . . . 0.0 110.007 173.699 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.543 ' HG2' ' HD3' ' A' ' 19' ' ' LYS . 37.5 tt0 -65.84 -44.95 83.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.171 -177.456 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.492 HG22 ' O ' ' A' ' 12' ' ' GLN . 99.8 t -62.2 -39.66 84.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.533 0.206 . . . . 0.0 110.851 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.59 -54.38 32.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.526 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -57.03 -55.17 38.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.1 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.543 ' HD3' ' HG2' ' A' ' 15' ' ' GLU . 41.9 mtpt -72.48 -28.75 63.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.679 -175.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.97 -48.57 59.77 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.567 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.83 95.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.981 0.42 . . . . 0.0 110.673 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.21 -42.5 96.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.778 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -62.86 -37.75 88.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.463 0.649 . . . . 0.0 110.42 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -71.39 -34.92 70.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.322 177.186 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -73.18 -26.71 61.28 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.34 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.715 ' HB3' ' HB3' ' A' ' 29' ' ' ASN . 58.6 mm-40 -61.37 -40.68 95.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.21 0.529 . . . . 0.0 109.576 170.72 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.64 68.14 1.27 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.32 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.2 tttt 60.69 48.96 6.7 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.774 0.797 . . . . 0.0 109.836 178.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.715 ' HB3' ' HB3' ' A' ' 26' ' ' GLU . 56.3 t30 -124.17 163.32 21.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.288 -175.29 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.0 m 65.52 20.61 11.7 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.661 0.601 . . . . 0.0 111.533 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -124.47 133.22 53.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.721 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -81.61 -79.09 0.17 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.749 0.309 . . . . 0.0 110.729 -178.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.2 m -97.93 132.38 43.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.982 0.42 . . . . 0.0 110.577 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -95.19 11.69 31.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.54 0.686 . . . . 0.0 109.524 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.892 ' HB3' ' HB2' ' A' ' 38' ' ' GLU . 10.5 t70 -58.77 144.7 43.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.94 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -53.61 -52.18 60.68 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.607 -176.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -83.81 -18.39 37.82 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.06 0.457 . . . . 0.0 111.048 -175.493 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.892 ' HB2' ' HB3' ' A' ' 35' ' ' ASP . 5.1 mm-40 -84.12 -19.93 33.39 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -177.862 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.708 HG23 HG13 ' A' ' 40' ' ' ILE . 5.6 t -130.01 -24.16 2.67 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.172 -0.611 . . . . 0.0 111.966 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.708 HG13 HG23 ' A' ' 39' ' ' THR . 56.5 mt -114.25 84.62 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.244 0.545 . . . . 0.0 111.215 -178.538 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.589 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 64.8 tttp -164.82 -57.25 0.01 OUTLIER Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.319 174.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.589 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 22.6 Cg_exo -64.07 -50.28 3.08 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.595 1.53 . . . . 0.0 111.636 -177.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.88 -40.55 76.41 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.997 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.95 -47.41 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.009 0.433 . . . . 0.0 110.914 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -69.35 -39.19 78.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.594 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.442 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -64.25 -49.05 73.41 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.077 176.789 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -65.42 -36.73 84.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.472 -176.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.67 -57.28 12.11 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.23 0.331 . . . . 0.0 111.273 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.48 ' O ' ' HB2' ' A' ' 53' ' ' ARG . 39.4 mt-10 -73.09 -27.91 61.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.045 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.442 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 13.4 tp -60.09 -53.04 62.44 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 178.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.39 -40.34 89.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.953 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.73 96.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.366 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 4.3 mmm180 -74.61 -34.55 62.84 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.811 0.339 . . . . 0.0 110.964 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.7 t90 -65.87 -49.38 68.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.04 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.01 93.5 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.847 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -55.73 -48.14 75.71 Favored 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 123.212 0.605 . . . . 0.0 111.343 178.336 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.38 -41.94 57.62 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.518 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.67 98.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.719 0.295 . . . . 0.0 111.013 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.495 HD22 HD11 ' A' ' 62' ' ' ILE . 26.7 mt -61.38 -41.78 97.66 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.733 177.694 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.525 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 5.3 tp10 -63.06 -45.4 92.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.352 0.596 . . . . 0.0 109.852 177.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.99 -49.93 75.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.283 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.495 HD11 HD22 ' A' ' 59' ' ' LEU . 34.1 pt -71.13 -24.86 24.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -174.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.528 ' HZ1' ' HB2' ' A' ' 63' ' ' LYS . 0.0 OUTLIER -82.1 -20.59 37.82 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.654 179.499 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.5 t -95.99 -53.34 8.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.393 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.586 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 32.1 ttt85 -91.56 -5.47 53.99 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -173.698 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.586 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 91.3 mtt180 77.28 150.2 0.12 Allowed Pre-proline 0 N--CA 1.471 0.588 0 C-N-CA 123.048 0.539 . . . . 0.0 111.268 -177.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 12.2 Cg_exo -71.02 90.36 0.65 Allowed 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.659 2.239 . . . . 0.0 111.387 174.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -82.97 -60.76 2.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 -175.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -94.43 -56.37 2.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.267 0.556 . . . . 0.0 110.395 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.435 HG21 HG23 ' A' ' 109' ' ' THR . 12.6 p -87.43 150.89 3.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.416 -177.149 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -104.18 156.77 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -57.6 -40.29 78.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.932 0.396 . . . . 0.0 110.767 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.05 -29.49 69.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.087 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.454 ' O ' HG23 ' A' ' 78' ' ' VAL . 75.5 mm-40 -68.15 -44.68 75.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.842 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.0 mp -58.81 -44.07 89.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 121.073 0.464 . . . . 0.0 110.23 178.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -70.64 -29.61 66.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.805 -178.545 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.66 -45.74 57.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 177.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 74' ' ' GLN . 78.1 t -59.02 -39.76 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.769 -178.194 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -56.87 -46.78 81.6 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.068 0.461 . . . . 0.0 110.372 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -73.92 -46.98 40.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.49 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -56.88 -44.01 81.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.46 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.427 ' O ' HG23 ' A' ' 86' ' ' VAL . 41.5 t80 -61.19 -52.45 64.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -176.345 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 45.7 mt -66.59 -38.92 88.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.303 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.551 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 7.4 mm-40 -62.94 -49.54 74.35 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.524 175.342 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.3 tt -52.55 -48.61 66.02 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.408 0.443 . . . . 0.0 110.664 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 82' ' ' PHE . 91.8 t -56.97 -50.09 77.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.99 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 43.6 tp -68.3 -42.49 79.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.175 -177.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.551 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 95.7 mt-30 -65.29 -27.31 68.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.14 -176.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 61.5 m -69.89 -38.53 76.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.824 0.345 . . . . 0.0 110.731 177.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -73.17 -48.67 33.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.208 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 29.6 m -84.15 -2.94 7.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.405 -176.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 34.6 m80 60.74 44.6 10.96 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.823 177.273 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -80.52 -20.39 43.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.439 -178.69 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.0 pp -99.44 -179.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.139 176.441 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.08 -67.15 0.79 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.613 0.244 . . . . 0.0 110.855 177.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -166.88 -57.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.426 -175.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.409 ' HB3' ' HD3' ' A' ' 98' ' ' ARG . 28.2 tptt -54.02 -57.31 11.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.242 -172.177 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.409 ' HD3' ' HB3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -75.56 -29.53 59.38 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.057 -176.084 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -58.89 -43.14 90.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.967 0.413 . . . . 0.0 110.588 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -61.96 -51.75 66.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.78 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -61.78 -43.24 99.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.329 -177.623 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.419 ' O ' HG22 ' A' ' 106' ' ' VAL . 82.8 mt -59.55 -47.12 92.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.534 176.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 37.3 m -60.84 -43.85 97.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.996 0.426 . . . . 0.0 110.285 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -63.38 -37.27 86.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.486 178.086 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 43.7 m -66.16 -40.52 90.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.705 0.288 . . . . 0.0 110.817 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 102' ' ' ILE . 90.7 t -64.06 -50.59 76.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.258 176.411 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.33 -40.11 89.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.262 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -53.68 -49.69 67.47 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.059 0.457 . . . . 0.0 110.658 175.747 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.435 HG23 HG21 ' A' ' 70' ' ' VAL . 89.4 m -62.7 -44.85 95.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.743 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.597 HD22 ' SD ' ' A' ' 13' ' ' MET . 95.5 mt -62.83 -40.41 97.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.495 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -64.27 -37.2 86.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.894 0.378 . . . . 0.0 110.954 178.203 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.4 -48.95 73.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.9 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 41.1 t -68.08 -34.25 65.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.42 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -55.18 -43.66 74.55 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.569 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -63.43 -49.35 74.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.943 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.49 -53.4 54.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 123.486 0.491 . . . . 0.0 111.151 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 75.6 mt -58.21 -49.37 81.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.333 -177.075 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.14 -23.74 59.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.188 -176.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -70.55 -53.09 17.46 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.518 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -69.56 -55.56 9.79 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.452 176.1 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 21.7 t70 70.46 140.86 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 O-C-N 124.065 0.853 . . . . 0.0 111.85 178.274 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 27.1 m -147.39 100.35 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.708 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 41.8 mtt180 . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 121.456 0.646 . . . . 0.0 110.191 -175.918 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.459 ' O ' ' HB2' ' A' ' 2' ' ' LEU . 19.9 ptt? . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.459 ' HB2' ' O ' ' A' ' 1' ' ' MET . 10.4 mp 73.4 142.49 0.07 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.209 0.604 . . . . 0.0 110.844 -177.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 m -86.6 28.78 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.045 -174.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -80.27 112.3 17.46 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 3.0 m -72.1 79.84 0.95 Allowed 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.265 0.555 . . . . 0.0 110.863 -178.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 5' ' ' THR . 51.4 tp 170.05 -38.93 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.71 -174.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 40.0 tp -77.5 -37.49 50.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.757 -177.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -37.06 76.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.077 0.465 . . . . 0.0 110.744 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.504 ' SD ' ' HD2' ' A' ' 53' ' ' ARG . 44.7 ttp -61.52 -37.1 82.47 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.913 172.475 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.458 ' O ' HG13 ' A' ' 14' ' ' ILE . 62.0 m -66.68 -46.37 75.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.06 175.384 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.44 -36.9 74.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 176.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.445 ' O ' HG22 ' A' ' 16' ' ' VAL . 48.4 tt0 -61.05 -47.97 83.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.497 175.289 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.487 ' SD ' HD22 ' A' ' 110' ' ' LEU . 47.3 ttm -61.25 -39.88 92.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.55 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.458 HG13 ' O ' ' A' ' 10' ' ' THR . 80.8 mt -63.87 -44.11 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.266 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.11 -42.64 95.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.673 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.445 HG22 ' O ' ' A' ' 12' ' ' GLN . 98.0 t -63.56 -44.59 98.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 177.732 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.75 -48.23 77.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.792 0.33 . . . . 0.0 110.885 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -57.15 -53.15 61.35 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.4 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.467 ' HD2' ' HA ' ' A' ' 19' ' ' LYS . 8.0 tptp -69.07 -24.44 64.16 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.211 -177.664 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.53 -44.65 92.58 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.374 174.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.23 -38.5 78.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.313 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.438 ' HB3' ' HA ' ' A' ' 19' ' ' LYS . 14.5 t70 -60.05 -42.99 95.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.778 175.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.566 HH21 ' HB3' ' A' ' 29' ' ' ASN . 10.5 tpt180 -62.63 -44.63 95.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.476 178.74 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -65.81 -34.81 79.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.879 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -70.24 -34.88 73.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.067 0.461 . . . . 0.0 110.15 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -74.27 -60.07 2.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.153 177.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 143.9 -178.49 21.92 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.999 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -88.12 151.44 22.72 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.566 ' HB3' HH21 ' A' ' 23' ' ' ARG . 9.1 t30 -134.56 148.4 50.46 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 -178.538 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.1 m 73.16 122.07 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 O-C-N 124.311 1.007 . . . . 0.0 110.369 -176.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -104.79 -15.45 15.21 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.42 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.464 ' C ' ' H ' ' A' ' 34' ' ' TYR . 34.5 m170 -115.44 149.57 37.82 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 174.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.6 t 73.14 -31.1 0.22 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.587 0.755 . . . . 0.0 110.984 -176.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.464 ' H ' ' C ' ' A' ' 32' ' ' HIS . 85.6 t80 -73.96 77.88 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 173.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -169.19 91.78 0.25 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.886 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.543 ' HA ' HD12 ' A' ' 40' ' ' ILE . 28.3 t80 70.11 -61.57 0.45 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.619 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.431 ' C ' ' H ' ' A' ' 39' ' ' THR . 91.2 m-85 -80.89 165.39 21.85 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 120.776 0.322 . . . . 0.0 110.589 -176.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 71.17 -40.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.605 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.431 ' H ' ' C ' ' A' ' 37' ' ' PHE . 1.7 p -98.86 -63.9 1.08 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.623 -177.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.543 HD12 ' HA ' ' A' ' 36' ' ' PHE . 4.4 mp -85.13 58.58 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 121.722 0.773 . . . . 0.0 110.581 -177.221 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.447 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 25.0 mmtp -147.26 -66.53 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.637 173.473 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -68.05 -40.14 9.55 Favored 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 121.691 1.594 . . . . 0.0 112.086 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.45 99.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.306 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.5 t -61.69 -41.68 91.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.571 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.447 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 44.0 mt-10 -64.42 -50.01 69.26 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.974 0.416 . . . . 0.0 110.71 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -61.35 -59.89 4.58 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.114 -177.435 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.59 HD21 ' HE2' ' A' ' 82' ' ' PHE . 18.9 m120 -62.41 -26.97 68.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.688 -1.142 . . . . 0.0 112.216 -174.441 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -66.55 -55.44 15.45 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 176.639 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.8 -33.94 76.24 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 121.163 0.506 . . . . 0.0 110.163 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.41 HD12 ' OE1' ' A' ' 12' ' ' GLN . 10.9 tp -61.56 -52.44 64.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.201 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.519 ' HB3' ' HG3' ' A' ' 79' ' ' LYS . . . -72.39 -25.65 61.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.957 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.06 -54.88 17.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.547 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.504 ' HD2' ' SD ' ' A' ' 9' ' ' MET . 3.9 tmt_? -59.69 -38.41 81.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.103 177.504 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -63.62 -52.6 60.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.604 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.46 -43.96 96.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.242 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -58.43 -39.14 78.97 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 120.631 0.253 . . . . 0.0 110.923 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.17 -48.23 20.49 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.554 178.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.02 96.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.657 0.265 . . . . 0.0 111.167 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.472 HD22 HD12 ' A' ' 62' ' ' ILE . 37.0 mt -64.4 -37.61 88.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.993 177.881 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -62.41 -40.05 95.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.043 0.449 . . . . 0.0 109.964 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.5 tp -62.03 -48.89 78.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.527 HG21 ' HB3' ' A' ' 67' ' ' PRO . 37.1 pt -78.32 -11.34 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.348 0.594 . . . . 0.0 111.107 -177.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -81.82 -39.62 23.72 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.618 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 90.0 t -87.98 -45.95 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.827 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.9 mtp85 -114.94 -166.33 1.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.321 -177.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -104.1 132.49 20.95 Favored Pre-proline 0 C--O 1.236 0.345 0 CA-C-O 120.982 0.42 . . . . 0.0 111.432 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.527 ' HB3' HG21 ' A' ' 62' ' ' ILE . 55.3 Cg_endo -72.06 134.28 23.02 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.493 2.129 . . . . 0.0 111.035 172.329 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -100.66 -34.72 9.75 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.622 -173.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.53 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 54.9 m-85 -115.16 -46.02 2.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.041 0.448 . . . . 0.0 111.246 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.505 ' O ' ' HB2' ' A' ' 67' ' ' PRO . 7.4 p -93.59 167.15 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.162 -172.437 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 75.1 m-70 -121.95 177.9 5.11 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 176.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -67.05 -57.76 6.21 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.969 0.414 . . . . 0.0 111.772 -175.626 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -60.73 -34.33 74.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.111 -173.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.598 ' O ' HG22 ' A' ' 78' ' ' VAL . 12.3 mm-40 -55.04 -53.38 56.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.481 HD11 HD13 ' A' ' 62' ' ' ILE . 75.8 mt -59.73 -39.02 78.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.468 -176.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.442 ' HG2' HD12 ' A' ' 59' ' ' LEU . 29.3 mt-10 -76.93 -33.92 57.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.861 0.362 . . . . 0.0 110.686 -177.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.61 -29.78 61.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.792 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.598 HG22 ' O ' ' A' ' 74' ' ' GLN . 29.7 t -56.64 -42.02 75.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.316 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.519 ' HG3' ' HB3' ' A' ' 51' ' ' ALA . 84.4 tttt -58.52 -49.07 78.72 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.625 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -64.36 -36.25 83.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.33 0.586 . . . . 0.0 110.859 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -75.25 -35.67 61.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.336 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.59 ' HE2' HD21 ' A' ' 47' ' ' ASN . 33.8 t80 -69.41 -36.3 76.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.394 -178.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 79' ' ' LYS . 96.9 mt -63.89 -41.55 97.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.978 174.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.495 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 10.4 tp10 -63.16 -42.1 99.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.242 175.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.0 tt -54.5 -45.42 73.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.58 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.54 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.544 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.485 ' O ' HG21 ' A' ' 91' ' ' VAL . 59.9 tp -64.16 -49.63 71.34 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.39 -177.37 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.495 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 12.6 pt20 -65.57 -23.2 66.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.239 -177.754 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.1 t -67.69 -29.42 68.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.932 0.396 . . . . 0.0 109.999 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -95.72 -57.69 2.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.79 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.485 HG21 ' O ' ' A' ' 87' ' ' LEU . 35.5 m -84.39 -15.82 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -173.375 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 25.3 m170 59.41 30.63 20.35 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 174.421 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -82.62 35.15 0.45 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.082 0.468 . . . . 0.0 112.015 -173.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.668 ' HB ' ' HB2' ' A' ' 98' ' ' ARG . 2.1 pp -129.13 13.15 2.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.913 0.387 . . . . 0.0 111.077 -179.076 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 61.51 -76.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.623 -174.619 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -162.14 -54.87 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.687 -176.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -66.66 -41.77 87.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.863 -170.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.668 ' HB2' ' HB ' ' A' ' 94' ' ' ILE . 62.8 mtt180 -60.0 -29.39 68.44 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.42 ' HB2' HD13 ' A' ' 94' ' ' ILE . 46.3 t80 -59.91 -42.1 93.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.031 0.443 . . . . 0.0 110.167 -179.243 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -67.79 -53.41 27.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.936 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -56.95 -45.91 82.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.693 -174.637 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.414 ' O ' HG21 ' A' ' 106' ' ' VAL . 65.5 mt -63.76 -43.59 98.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.4 m -62.91 -42.78 99.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.068 0.461 . . . . 0.0 110.085 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -60.35 -46.78 88.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.066 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.9 m -57.8 -42.85 85.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 0.0 111.009 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.442 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 94.8 t -69.33 -52.36 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.86 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.479 HD21 HD12 ' A' ' 110' ' ' LEU . 41.1 mt -60.58 -39.28 87.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.778 -177.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -59.58 -42.98 93.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.359 0.599 . . . . 0.0 109.955 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.48 HG22 HG21 ' A' ' 78' ' ' VAL . 30.3 m -70.08 -39.4 75.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.707 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.487 HD22 ' SD ' ' A' ' 13' ' ' MET . 94.1 mt -61.46 -39.76 92.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 178.633 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -56.8 -44.79 82.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.296 0.57 . . . . 0.0 110.34 175.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.53 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . . . -64.3 -49.3 72.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.492 -177.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.8 t -71.71 -33.91 50.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.031 0.443 . . . . 0.0 110.396 -174.151 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 114' ' ' LYS . 0.5 OUTLIER -57.88 -47.41 82.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.672 177.625 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.36 -37.96 80.97 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.497 -178.075 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 112' ' ' ALA . 28.3 mm-40 -54.6 -52.76 61.16 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 111.203 177.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 75.1 mt -58.62 -46.04 90.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.139 -177.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.85 -16.25 58.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.526 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -86.39 -39.55 16.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.388 . . . . 0.0 110.503 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -71.56 -34.74 70.24 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.277 -178.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -143.33 125.84 15.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.803 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.4 m -111.36 136.42 50.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.69 0.281 . . . . 0.0 110.983 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 . . . . . 0 C--N 1.332 -0.175 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.206 -179.196 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.875 0.369 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.2 mt -112.83 96.03 5.74 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 m -144.05 89.47 2.04 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.136 0.493 . . . . 0.0 110.727 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -127.05 96.89 4.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.554 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.3 p -77.62 114.32 16.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.337 0.589 . . . . 0.0 110.66 -178.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.503 HD13 ' HE3' ' A' ' 9' ' ' MET . 36.6 tp -117.93 -28.08 6.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.23 -176.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.699 ' HG ' ' HG2' ' A' ' 11' ' ' GLU . 35.1 tp -70.6 -35.78 73.17 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.671 -175.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.448 ' HG3' ' N ' ' A' ' 9' ' ' MET . 5.9 pt-20 -51.89 -45.92 64.35 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -174.471 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.503 ' HE3' HD13 ' A' ' 6' ' ' LEU . 3.5 mpp? -63.06 -42.68 99.73 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.844 0.354 . . . . 0.0 110.314 -178.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.538 ' O ' HG13 ' A' ' 14' ' ' ILE . 19.6 m -64.35 -50.88 65.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.987 178.191 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.699 ' HG2' ' HG ' ' A' ' 7' ' ' LEU . 23.8 mm-40 -54.46 -49.63 69.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.513 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.407 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.1 OUTLIER -58.56 -48.97 79.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.401 178.17 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.61 ' SD ' HD23 ' A' ' 110' ' ' LEU . 49.8 ttm -62.68 -36.74 83.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.941 -178.556 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.538 HG13 ' O ' ' A' ' 10' ' ' THR . 78.4 mt -65.13 -51.02 71.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.583 0.23 . . . . 0.0 110.772 178.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.82 -37.66 82.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.995 -176.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 12' ' ' GLN . 72.2 t -64.61 -39.19 84.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.256 175.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.44 -49.54 75.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.498 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -58.9 -48.61 80.82 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.395 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -63.23 -40.27 96.98 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.674 0.273 . . . . 0.0 111.11 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.73 -38.25 94.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.215 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.92 -35.23 74.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.717 0.294 . . . . 0.0 110.825 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.743 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 20.7 t70 -75.43 -32.51 60.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.117 0.484 . . . . 0.0 110.461 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' HD3' ' O ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -64.41 -39.27 93.52 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 172.697 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.803 ' HE2' ' HA ' ' A' ' 96' ' ' LYS . 27.2 t80 -75.12 -32.55 61.41 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.031 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.743 ' HG3' ' O ' ' A' ' 22' ' ' ASP . 5.1 pp0? -65.29 -30.29 71.14 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.536 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -72.97 -35.48 66.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.888 0.375 . . . . 0.0 110.321 171.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.13 103.9 0.87 Allowed Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.61 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -119.54 -1.72 10.62 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.387 0.613 . . . . 0.0 110.319 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -119.64 148.85 42.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.249 174.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.1 p -65.51 -59.05 4.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.461 -176.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.97 85.11 0.12 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.162 0.506 . . . . 0.0 110.381 -177.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.81 88.39 0.73 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.243 -174.708 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.4 t 70.61 141.31 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 O-C-N 123.771 0.669 . . . . 0.0 111.624 174.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -160.64 -55.73 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.382 177.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.541 ' O ' HD11 ' A' ' 40' ' ' ILE . 14.5 t0 -117.72 145.98 44.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.735 0.303 . . . . 0.0 111.612 -177.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -148.38 6.56 0.75 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.966 173.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -141.25 -20.22 0.78 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -171.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -77.22 -61.44 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.461 0.172 . . . . 0.0 111.137 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.2 t -117.44 -25.37 7.02 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.311 -177.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.541 HD11 ' O ' ' A' ' 35' ' ' ASP . 20.3 mt -69.55 -42.29 80.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -176.305 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -50.64 -57.23 13.98 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -177.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.41 -40.7 23.38 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 121.702 1.601 . . . . 0.0 111.993 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.6 85.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.736 -177.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.504 HG21 ' O ' ' A' ' 40' ' ' ILE . 99.5 t -61.39 -38.89 81.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.686 0.279 . . . . 0.0 111.014 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -70.34 -50.87 34.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.65 0.262 . . . . 0.0 110.95 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -56.03 -55.11 36.8 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.579 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -67.51 -29.19 68.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.144 -174.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.92 -47.58 74.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.782 0.325 . . . . 0.0 110.166 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.49 -40.11 89.09 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.014 0.435 . . . . 0.0 109.907 176.316 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.1 tp -55.62 -53.26 58.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.528 179.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.654 ' HB1' ' HG2' ' A' ' 79' ' ' LYS . . . -62.78 -38.26 89.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.459 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.0 -52.84 53.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.128 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -34.17 77.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.662 -179.226 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.407 ' HB2' ' HB3' ' A' ' 9' ' ' MET . 79.1 t90 -66.0 -49.31 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.167 176.727 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.75 -44.86 82.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.831 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -57.67 -53.21 60.77 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.031 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.94 -42.53 99.66 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.994 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.41 -43.25 81.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.84 0.352 . . . . 0.0 111.024 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.581 HD23 ' HG3' ' A' ' 72' ' ' LYS . 24.9 mt -66.96 -37.4 84.2 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 177.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.508 ' O ' HG22 ' A' ' 64' ' ' VAL . 24.9 tp10 -65.79 -39.52 91.03 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.46 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.86 -51.03 71.29 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 38.9 pt -67.61 -31.38 52.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -174.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -26.36 34.16 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.585 178.617 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.508 HG22 ' O ' ' A' ' 60' ' ' GLU . 39.3 t -68.6 -48.0 74.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.605 0.241 . . . . 0.0 110.63 177.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -106.42 -80.32 0.56 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.949 177.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.545 ' HG3' ' HD2' ' A' ' 67' ' ' PRO . 11.6 ttm180 -175.44 141.33 0.64 Allowed Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -176.163 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.545 ' HD2' ' HG3' ' A' ' 66' ' ' ARG . 50.3 Cg_exo -54.26 115.03 2.09 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.643 2.228 . . . . 0.0 112.278 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.461 ' HD2' ' OE2' ' A' ' 116' ' ' GLU . 6.9 ttmt -139.19 115.6 10.51 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -176.547 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 67.16 -70.08 0.12 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.658 0.599 . . . . 0.0 111.025 -177.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.7 p -76.1 140.39 17.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.203 0.525 . . . . 0.0 109.82 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -135.07 161.24 35.88 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -178.221 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.581 ' HG3' HD23 ' A' ' 59' ' ' LEU . 65.2 tttp -59.61 -39.8 85.43 Favored 'General case' 0 CA--C 1.52 -0.2 0 O-C-N 123.203 0.314 . . . . 0.0 110.457 -178.431 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -51.01 -44.22 60.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.98 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -69.47 -46.21 67.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.693 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 72.5 mt -60.71 -39.98 83.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.227 -177.474 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -68.31 -42.08 79.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.984 0.421 . . . . 0.0 110.231 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.47 71.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.839 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.464 HG21 ' HB ' ' A' ' 109' ' ' THR . 77.9 t -67.12 -42.25 88.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.349 -177.197 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.654 ' HG2' ' HB1' ' A' ' 51' ' ' ALA . 14.4 tmtt? -55.77 -41.41 73.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.201 0.524 . . . . 0.0 110.377 179.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.49 -49.8 20.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.833 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -64.59 -31.68 73.0 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.04 -177.166 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.401 ' O ' HG23 ' A' ' 86' ' ' VAL . 51.3 t80 -65.52 -45.16 84.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.846 0.355 . . . . 0.0 110.58 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.98 -41.48 98.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.077 0.465 . . . . 0.0 110.359 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.52 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 24.9 mm-40 -61.44 -47.3 86.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.532 175.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.7 tt -52.64 -49.42 65.2 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 122.9 0.48 . . . . 0.0 110.818 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 82' ' ' PHE . 65.1 t -57.01 -46.98 84.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.019 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.418 ' O ' HG21 ' A' ' 91' ' ' VAL . 52.2 tp -66.83 -45.66 77.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.52 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 16.7 mm-40 -69.14 -24.38 64.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.762 -174.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.406 ' HA ' ' HD1' ' A' ' 24' ' ' TYR . 24.7 t -66.47 -21.54 66.19 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.061 0.458 . . . . 0.0 110.134 177.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -102.88 -57.91 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.647 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.418 HG21 ' O ' ' A' ' 87' ' ' LEU . 34.0 m -72.28 -23.78 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -174.386 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 50.4 m170 60.73 36.48 19.37 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.351 0.407 . . . . 0.0 111.866 175.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.499 ' HB3' ' OE1' ' A' ' 88' ' ' GLN . 68.2 t60 -69.68 -34.74 74.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.675 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.52 HG12 ' HB3' ' A' ' 88' ' ' GLN . 44.2 pt -96.65 159.39 3.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.386 177.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -82.59 168.49 17.28 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.96 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.803 ' HA ' ' HE2' ' A' ' 24' ' ' TYR . 42.7 tttp -68.41 -31.12 70.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.817 -169.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -71.77 -53.83 12.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 -177.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -62.86 -33.91 76.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.065 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -57.36 -41.43 80.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.876 0.37 . . . . 0.0 110.282 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.557 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 25.4 tptp -64.52 -44.24 91.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.457 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -65.48 -37.85 88.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.711 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.58 -43.02 96.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.849 174.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.6 m -58.84 -45.28 90.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.869 174.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.557 ' HG2' ' O ' ' A' ' 100' ' ' LYS . 33.3 mm-40 -56.0 -48.94 74.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.516 176.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.7 m -57.1 -45.35 83.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.27 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.44 HG12 HG11 ' A' ' 78' ' ' VAL . 97.6 t -66.88 -53.8 30.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.628 179.331 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.423 HD23 HD13 ' A' ' 110' ' ' LEU . 29.0 mt -60.55 -35.3 75.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.986 -178.18 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -57.19 -52.11 66.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.931 0.396 . . . . 0.0 110.573 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.464 ' HB ' HG21 ' A' ' 78' ' ' VAL . 41.8 m -66.93 -38.73 86.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.61 HD23 ' SD ' ' A' ' 13' ' ' MET . 89.9 mt -59.9 -40.93 90.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.052 178.081 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -64.27 -36.3 83.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.506 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.44 -42.27 87.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.532 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.427 ' O ' HG13 ' A' ' 117' ' ' ILE . 60.8 t -71.8 -43.18 69.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.015 0.436 . . . . 0.0 110.303 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -61.13 -40.64 94.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.539 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -70.98 -39.89 72.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.537 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.461 ' OE2' ' HD2' ' A' ' 68' ' ' LYS . 7.9 mm-40 -59.85 -47.17 86.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.779 176.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.427 HG13 ' O ' ' A' ' 113' ' ' VAL . 83.7 mt -59.84 -44.44 94.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.844 0.354 . . . . 0.0 110.543 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.66 -17.02 61.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.106 0.479 . . . . 0.0 110.959 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -83.19 -44.53 14.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.975 177.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -65.0 -47.31 77.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.048 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -152.43 101.5 2.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.075 0.464 . . . . 0.0 110.572 178.535 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.7 p -91.29 82.79 5.44 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.631 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.595 ' HA ' ' NE ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 CA-C-O 121.051 0.453 . . . . 0.0 110.402 178.713 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.564 ' HG3' ' HB3' ' A' ' 11' ' ' GLU . 1.7 mpt? . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 120.94 0.4 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.634 HD22 HD22 ' A' ' 7' ' ' LEU . 1.2 pt? -162.03 112.15 1.56 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.585 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.484 ' HA ' ' HG3' ' A' ' 8' ' ' GLU . 55.3 m -76.87 37.9 0.19 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.654 -169.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.455 ' O ' ' HB ' ' A' ' 5' ' ' THR . 3.2 mp0 -69.71 -62.66 1.29 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 173.011 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.455 ' HB ' ' O ' ' A' ' 4' ' ' GLN . 13.2 t 173.44 161.11 0.14 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.255 177.466 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.449 ' HA ' ' HE1' ' A' ' 9' ' ' MET . 56.1 tp 70.35 -67.34 0.24 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 171.438 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.634 HD22 HD22 ' A' ' 2' ' ' LEU . 32.8 tp -61.68 -31.29 71.41 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -170.42 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.484 ' HG3' ' HA ' ' A' ' 3' ' ' SER . 8.2 mm-40 -55.09 -36.38 65.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.175 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.449 ' HE1' ' HA ' ' A' ' 6' ' ' LEU . 4.4 mpp? -65.67 -32.25 73.72 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.317 178.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.514 ' O ' HG12 ' A' ' 14' ' ' ILE . 17.2 m -73.62 -47.42 40.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.766 175.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.564 ' HB3' ' HG3' ' A' ' 1' ' ' MET . 11.4 mm-40 -55.39 -45.3 76.64 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.699 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.502 ' O ' HG21 ' A' ' 16' ' ' VAL . 59.1 tt0 -62.71 -47.66 82.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.393 177.642 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.8 ttm -60.64 -36.32 78.37 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.514 HG12 ' O ' ' A' ' 10' ' ' THR . 28.6 mm -55.16 -52.16 47.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.795 175.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -67.47 -37.22 82.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.161 -176.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.502 HG21 ' O ' ' A' ' 12' ' ' GLN . 89.4 t -60.88 -42.19 91.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.715 0.293 . . . . 0.0 110.615 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.4 -49.81 67.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.749 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -58.93 -41.04 86.41 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.61 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.4 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 36.3 mttp -66.14 -44.74 83.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.04 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.75 -49.96 72.88 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.628 -178.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.458 ' HA ' ' CE2' ' A' ' 99' ' ' PHE . . . -58.2 -44.21 87.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.026 0.441 . . . . 0.0 111.346 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.602 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 4.2 t70 -72.81 -35.9 67.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.461 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -67.58 -36.49 80.99 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.237 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -70.65 -34.49 72.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.346 175.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.602 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 6.5 pt20 -67.11 -24.78 65.96 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 110.283 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -74.61 -42.52 58.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.551 172.63 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -106.42 70.35 0.22 Allowed Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.502 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.547 ' HB3' ' HE3' ' A' ' 96' ' ' LYS . 53.7 mtmt -96.74 -28.83 14.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.695 0.283 . . . . 0.0 111.618 -176.702 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -104.57 -2.84 24.61 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -168.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.7 p -123.53 132.21 53.84 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.249 0.547 . . . . 0.0 111.806 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -107.15 119.52 39.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.789 177.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -138.3 140.59 39.63 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.266 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.1 m -76.22 94.31 3.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.958 174.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.468 ' HB3' HG21 ' A' ' 39' ' ' THR . 3.9 m-85 -62.86 134.46 56.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.431 176.015 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.708 ' HB3' ' HB2' ' A' ' 38' ' ' GLU . 14.1 t70 -54.04 128.12 29.26 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.143 0.496 . . . . 0.0 111.293 -174.513 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -75.87 -4.38 40.49 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.892 -171.157 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -115.43 -38.51 3.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.956 0.408 . . . . 0.0 110.693 176.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.708 ' HB2' ' HB3' ' A' ' 35' ' ' ASP . 56.4 mm-40 -63.89 -63.59 1.12 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.988 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.468 HG21 ' HB3' ' A' ' 34' ' ' TYR . 8.4 t -103.98 -23.22 13.36 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.59 -171.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.5 mt -98.78 60.36 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.436 0.636 . . . . 0.0 110.575 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.941 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 3.1 mmpt? -148.22 -60.93 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.867 178.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.542 ' HD3' ' HB2' ' A' ' 41' ' ' LYS . 47.0 Cg_exo -56.47 -49.96 13.35 Favored 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 122.134 1.889 . . . . 0.0 113.172 -173.599 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.99 -35.93 79.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.475 -178.432 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.3 t -58.96 -54.59 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.219 -175.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.52 -38.12 88.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.619 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.32 -61.34 2.18 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.698 0.761 . . . . 0.0 111.236 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -62.67 -31.11 71.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.22 -1.355 . . . . 0.0 112.195 -172.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.65 -46.13 83.83 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.629 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -73.7 -38.35 64.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.096 0.474 . . . . 0.0 110.531 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.9 tp -58.27 -53.16 61.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.726 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.521 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -65.18 -30.23 71.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.289 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.6 -53.58 45.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.084 0.469 . . . . 0.0 110.473 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -69.21 -30.59 68.8 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.281 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -60.91 -47.61 85.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.152 175.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.46 -46.2 87.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.77 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -59.5 -42.56 92.45 Favored 'General case' 0 N--CA 1.432 -1.37 0 C-N-CA 123.229 0.611 . . . . 0.0 110.977 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.28 -45.19 91.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.239 178.097 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.87 98.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.871 0.367 . . . . 0.0 110.619 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.669 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 69.1 mt -60.24 -40.47 90.36 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.937 177.719 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.504 ' HA ' ' HD2' ' A' ' 63' ' ' LYS . 11.0 tp10 -55.71 -44.94 77.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.545 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.99 -40.78 95.48 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -177.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.603 ' HB ' ' HG3' ' A' ' 67' ' ' PRO . 26.4 pt -70.92 -35.39 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -174.016 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.669 ' HG3' ' O ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -83.19 -20.06 35.36 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 179.109 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 60' ' ' GLU . 54.9 t -78.19 -49.86 20.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.456 174.538 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.4 mtt-85 -106.89 -99.44 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.727 176.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 176.47 132.51 0.18 Allowed Pre-proline 0 C--N 1.33 -0.25 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -178.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.603 ' HG3' ' HB ' ' A' ' 62' ' ' ILE . 16.6 Cg_exo -65.72 132.36 30.44 Favored 'Trans proline' 0 N--CA 1.473 0.268 0 C-N-CA 122.614 2.209 . . . . 0.0 113.027 -174.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -98.88 -50.88 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.984 0.421 . . . . 0.0 110.805 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.422 ' CB ' ' HB3' ' A' ' 112' ' ' ALA . 74.0 m-85 -101.15 -52.6 3.23 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.358 -178.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.55 163.9 3.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.652 -174.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -135.58 144.8 46.38 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 176.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 17.9 ptmt -54.78 -42.5 71.8 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -175.75 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.452 ' N ' ' HG3' ' A' ' 72' ' ' LYS . 40.7 tt0 -57.48 -42.21 82.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.023 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.483 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 11.7 mm-40 -65.71 -37.12 85.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.09 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.47 -43.89 98.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.059 0.456 . . . . 0.0 110.491 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.84 -39.26 90.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.689 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.56 -46.62 53.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.615 -178.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.52 HG11 HG11 ' A' ' 106' ' ' VAL . 30.2 t -57.56 -41.76 79.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.521 ' HG3' ' HB1' ' A' ' 51' ' ' ALA . 83.1 tttt -52.94 -50.05 64.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.849 0.357 . . . . 0.0 111.196 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -74.76 -42.18 58.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 -176.689 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -62.98 -34.35 77.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.074 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.406 ' O ' HG22 ' A' ' 86' ' ' VAL . 74.0 t80 -65.02 -45.46 85.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.352 177.715 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.0 mt -62.88 -45.39 92.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.784 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.579 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 43.9 tt0 -63.33 -38.28 90.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.193 177.13 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.779 ' HA ' HE21 ' A' ' 88' ' ' GLN . 7.2 tt -58.54 -54.15 50.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.997 178.388 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.406 HG22 ' O ' ' A' ' 82' ' ' PHE . 66.4 t -58.91 -40.83 81.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.723 0.296 . . . . 0.0 110.871 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.54 -57.63 12.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.847 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.779 HE21 ' HA ' ' A' ' 85' ' ' LEU . 3.5 pp0? -80.06 -8.55 59.44 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -173.748 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.0 m -67.34 -26.31 66.43 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.685 0.279 . . . . 0.0 110.525 176.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -80.72 -55.91 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.908 0.385 . . . . 0.0 110.887 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.405 HG23 ' HA ' ' A' ' 88' ' ' GLN . 19.1 m -75.22 -15.69 15.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -174.207 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 43.7 m170 64.78 24.93 12.9 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.74 0.416 . . . . 0.0 110.77 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 14.4 t60 -84.53 55.96 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.325 0.583 . . . . 0.0 110.947 -173.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.439 HD12 ' HB3' ' A' ' 98' ' ' ARG . 18.7 tt -157.63 146.52 10.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.433 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -88.34 46.03 1.34 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -174.023 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.547 ' HE3' ' HB3' ' A' ' 28' ' ' LYS . 46.5 mttp 69.91 -65.76 0.3 Allowed 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 167.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.551 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 36.1 pttt -56.25 -46.48 79.59 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -170.517 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.551 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -71.44 -22.81 61.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.934 0.397 . . . . 0.0 110.263 -175.669 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.458 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 86.1 t80 -64.29 -44.63 91.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.834 177.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -67.22 -38.16 84.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.414 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -56.92 -50.64 71.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.559 176.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.43 -51.24 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.556 176.715 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 45.4 m -56.44 -43.27 79.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.246 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -65.12 -49.78 68.63 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.603 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.7 m -58.39 -37.13 74.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.209 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.52 HG11 HG11 ' A' ' 78' ' ' VAL . 73.9 t -72.2 -52.43 24.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.99 177.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.8 -38.13 84.33 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -176.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -58.8 -49.51 77.43 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.895 0.379 . . . . 0.0 110.053 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 28.5 m -64.25 -39.42 93.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.748 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.445 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 74.0 mt -61.76 -44.28 97.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.67 177.284 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -63.07 -35.31 79.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.67 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.422 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . . . -61.46 -49.41 76.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.222 178.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 39.0 t -70.68 -38.57 73.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.527 0.68 . . . . 0.0 110.032 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -57.84 -39.9 78.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.544 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -72.06 -51.2 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.082 -178.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -57.92 -45.68 86.16 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 123.157 0.285 . . . . 0.0 111.759 -177.315 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.403 ' HB ' HD12 ' A' ' 7' ' ' LEU . 65.4 mt -64.94 -47.05 89.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.808 0.337 . . . . 0.0 111.027 -179.357 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.95 -28.48 67.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.058 0.456 . . . . 0.0 110.771 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 50.2 ttm-85 -70.3 -30.84 67.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -80.58 -35.7 33.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.233 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . 0.493 ' CG ' ' H ' ' A' ' 122' ' ' SER . 7.3 t70 -96.79 -170.29 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.727 -178.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.493 ' H ' ' CG ' ' A' ' 121' ' ' ASP . 14.9 m -95.38 142.45 27.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.731 -172.003 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.458 ' HD3' ' N ' ' A' ' 123' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.233 178.009 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.0 mmt . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.668 0.271 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -101.77 95.61 6.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.03 0.443 . . . . 0.0 110.216 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -138.17 -2.59 1.84 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.124 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -109.3 -170.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.17 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.44 ' HB ' ' H ' ' A' ' 6' ' ' LEU . 4.3 m 63.04 -92.34 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.647 177.471 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.44 ' H ' ' HB ' ' A' ' 5' ' ' THR . 40.8 tp -95.62 -29.84 14.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.504 -176.322 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.491 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 3.1 mm? -68.24 -48.86 63.98 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.24 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -48.7 -42.75 35.96 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.785 0.678 . . . . 0.0 112.441 -173.002 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 60.3 mtm -63.51 -42.69 98.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.366 . . . . 0.0 110.694 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.455 ' O ' HG13 ' A' ' 14' ' ' ILE . 18.0 m -69.15 -47.34 65.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.341 178.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.491 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 16.7 mm-40 -52.18 -44.82 64.85 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.173 0.511 . . . . 0.0 110.616 176.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.444 ' O ' HG22 ' A' ' 16' ' ' VAL . 57.1 tp60 -60.39 -49.46 77.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.838 177.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.466 ' HE3' ' HA ' ' A' ' 51' ' ' ALA . 64.1 mtt -61.1 -38.48 86.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.243 -178.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.455 HG13 ' O ' ' A' ' 10' ' ' THR . 84.3 mt -61.58 -48.89 86.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.825 0.345 . . . . 0.0 110.581 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -61.04 -45.96 92.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.755 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.444 HG22 ' O ' ' A' ' 12' ' ' GLN . 85.5 t -61.65 -48.29 89.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.689 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.22 94.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.131 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -61.19 -51.24 69.83 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.394 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.56 ' HE3' ' N ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -67.78 -29.35 68.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.209 -176.659 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.78 -46.79 71.71 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.955 176.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.45 -38.45 84.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.015 0.436 . . . . 0.0 110.357 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.42 -45.07 92.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.325 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -65.84 -35.82 81.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.227 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -68.78 -36.87 78.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.611 177.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -65.11 -32.47 74.18 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.755 -178.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -87.02 -38.17 16.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.174 176.388 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.21 27.12 73.29 Favored Glycine 0 C--N 1.332 0.315 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -174.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -83.81 108.89 17.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.078 -0.561 . . . . 0.0 110.838 -172.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.0 p-10 -107.14 103.95 13.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.306 0.574 . . . . 0.0 109.816 176.153 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.0 t -94.17 111.68 23.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.394 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.1 m120 66.44 -174.89 0.19 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.642 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -106.54 51.4 0.75 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.339 0.59 . . . . 0.0 109.936 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.1 m -93.88 10.25 34.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.635 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -108.24 24.38 13.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.49 -176.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.47 61.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.196 -177.563 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.5 t80 56.36 -84.48 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.305 1.042 . . . . 0.0 112.586 174.048 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -71.09 -2.61 16.2 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -171.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -76.76 -83.18 0.07 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.12 0.486 . . . . 0.0 110.916 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.2 p -95.24 -26.72 15.84 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.21 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.0 mt -84.75 52.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.658 0.742 . . . . 0.0 110.256 -176.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.461 ' HB3' ' CD ' ' A' ' 42' ' ' PRO . 86.7 tttt -144.59 -66.2 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.687 177.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.461 ' CD ' ' HB3' ' A' ' 41' ' ' LYS . 20.7 Cg_endo -60.33 -47.33 14.76 Favored 'Trans proline' 0 C--N 1.361 1.227 0 C-N-CA 121.647 1.564 . . . . 0.0 112.044 -176.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.28 90.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.53 -48.33 85.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.578 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.97 -42.98 99.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.265 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.447 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 7.5 mm-40 -58.37 -51.63 68.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.495 177.461 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -70.46 -25.72 63.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.358 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -65.23 -52.57 53.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.959 0.409 . . . . 0.0 109.961 176.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.7 -34.56 77.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.101 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.447 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 10.8 tp -59.09 -49.64 77.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.92 177.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.466 ' HA ' ' HE3' ' A' ' 13' ' ' MET . . . -62.63 -32.0 72.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.466 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.16 -57.26 9.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.642 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -35.63 81.78 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.9 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -62.29 -49.27 76.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.174 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.31 98.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.741 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.17 -43.82 95.53 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.347 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.49 -37.86 69.15 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.36 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.473 ' HB3' HD11 ' A' ' 75' ' ' ILE . . . -67.96 -45.72 73.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.22 -35.44 77.21 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.842 177.045 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.491 ' O ' HG23 ' A' ' 64' ' ' VAL . 8.0 tp10 -62.06 -53.67 52.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.944 173.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.6 tp -57.06 -48.67 77.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.66 -174.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.496 HD11 HD12 ' A' ' 75' ' ' ILE . 39.3 pt -68.67 -28.63 40.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -172.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -83.47 -22.31 32.59 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 119.511 -0.876 . . . . 0.0 110.598 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.491 HG23 ' O ' ' A' ' 60' ' ' GLU . 65.0 t -83.23 -43.92 18.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.883 0.373 . . . . 0.0 110.24 177.368 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -130.87 131.12 44.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.832 176.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -73.82 119.22 75.0 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.355 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -78.69 159.01 28.34 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 123.307 2.671 . . . . 0.0 112.917 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -102.97 -30.58 10.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.185 -176.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -107.23 -57.11 2.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.047 0.451 . . . . 0.0 110.658 -176.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.8 p -75.99 154.21 6.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.5 -176.444 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -133.57 155.29 49.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.012 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.44 ' HZ2' ' CD ' ' A' ' 76' ' ' GLU . 14.5 tmtt? -56.49 -43.05 79.29 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.716 0.635 . . . . 0.0 110.61 -178.802 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -60.24 -37.38 80.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.952 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -69.13 -45.16 70.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.765 -176.568 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.496 HD12 HD11 ' A' ' 62' ' ' ILE . 73.3 mt -57.72 -41.61 79.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.588 -174.121 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.44 ' CD ' ' HZ2' ' A' ' 72' ' ' LYS . 47.7 mt-10 -71.13 -38.49 72.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.163 0.506 . . . . 0.0 110.35 -178.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.4 -44.42 78.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.826 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.441 HG21 HG21 ' A' ' 109' ' ' THR . 76.7 t -65.5 -39.89 86.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.234 -178.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.41 ' HG3' ' HB1' ' A' ' 51' ' ' ALA . 75.7 tttt -54.37 -43.75 71.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.187 0.518 . . . . 0.0 111.01 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -77.31 -51.49 10.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.135 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -62.23 -25.6 67.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.06 -176.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.461 ' O ' HG22 ' A' ' 86' ' ' VAL . 77.2 t80 -65.08 -49.12 71.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.882 0.373 . . . . 0.0 110.074 176.169 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 48.3 mt -64.78 -39.6 93.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.393 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.34 -46.72 87.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.478 175.117 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 5.4 tt -59.1 -46.14 89.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.545 -178.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.461 HG22 ' O ' ' A' ' 82' ' ' PHE . 84.1 t -56.53 -49.48 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.713 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.0 tp -63.07 -46.62 86.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.256 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.426 HE21 ' HB3' ' A' ' 88' ' ' GLN . 2.4 pt20 -74.36 -16.33 60.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.589 -175.421 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.6 t -72.34 -32.17 66.26 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.913 0.387 . . . . 0.0 110.611 178.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -78.28 -57.8 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.143 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.5 m -87.79 -12.05 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -172.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 66.0 m170 61.6 38.78 15.2 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.954 0.407 . . . . 0.0 111.039 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -87.2 64.24 8.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.215 0.531 . . . . 0.0 110.058 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.0 tt -178.6 162.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.238 -0.892 . . . . 0.0 108.736 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -98.14 162.62 13.11 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.804 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -56.24 -56.89 15.45 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.205 0.816 . . . . 0.0 113.205 -168.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -64.46 -33.74 76.58 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.697 0.284 . . . . 0.0 111.568 -171.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -76.39 -39.12 54.54 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -60.68 -44.84 96.02 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.964 0.411 . . . . 0.0 109.906 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.424 ' HD2' ' O ' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -60.97 -43.06 99.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.844 178.723 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.48 -51.57 69.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.006 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.431 ' O ' HG22 ' A' ' 106' ' ' VAL . 79.7 mt -60.83 -49.12 85.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.732 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.6 m -56.4 -46.85 79.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.04 -48.63 80.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.695 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.3 t -56.32 -45.34 80.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.897 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.434 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 94.9 t -64.24 -54.01 36.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.34 -42.68 92.07 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.552 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -60.02 -46.72 88.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 0.0 110.2 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.503 ' O ' HG21 ' A' ' 113' ' ' VAL . 41.6 m -65.03 -40.85 95.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.763 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.434 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 89.3 mt -60.41 -41.57 94.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.617 0.246 . . . . 0.0 110.671 177.435 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -61.7 -39.2 90.64 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.262 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.22 -46.46 73.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.352 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.52 ' O ' HG13 ' A' ' 117' ' ' ILE . 61.9 t -68.45 -43.78 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.181 0.515 . . . . 0.0 109.92 -176.804 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -55.23 -45.69 75.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.313 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -64.08 -52.87 57.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.463 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.41 ' HA ' ' HB3' ' A' ' 119' ' ' ARG . 26.3 mt-10 -67.17 -33.96 76.51 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -172.527 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.52 HG13 ' O ' ' A' ' 113' ' ' VAL . 68.5 mt -61.44 -42.25 93.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.069 175.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.426 ' HB1' ' HD3' ' A' ' 123' ' ' ARG . . . -81.25 -20.94 39.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.192 0.52 . . . . 0.0 110.651 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.425 ' HG2' ' O ' ' A' ' 119' ' ' ARG . 18.3 ttm180 -90.48 5.22 48.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.921 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -52.16 -35.13 47.76 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.498 173.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -126.62 -81.37 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.12 174.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.1 m -147.67 121.61 9.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.531 -177.083 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.426 ' HD3' ' HB1' ' A' ' 118' ' ' ALA . 38.6 ptt85 . . . . . 0 C--N 1.327 -0.401 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 168.73 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.8 mtp . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.873 0.368 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -89.79 127.59 35.99 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -86.9 82.51 7.78 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.31 -175.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -81.22 126.47 31.56 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 171.078 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.7 126.09 30.32 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.213 0.53 . . . . 0.0 111.717 -174.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.0 tp -66.26 -43.61 85.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.821 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.8 tp -64.67 -44.51 90.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.751 -177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.427 ' HA ' ' HB2' ' A' ' 11' ' ' GLU . 38.1 mt-10 -63.7 -34.59 78.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.49 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.414 ' HE3' ' HA ' ' A' ' 54' ' ' TRP . 52.5 ttp -62.0 -43.59 98.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.287 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.47 ' O ' HG13 ' A' ' 14' ' ' ILE . 23.9 m -69.8 -42.84 73.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.225 176.451 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.427 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 34.6 mm-40 -53.25 -41.27 65.31 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.455 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.407 ' O ' HG22 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -63.17 -49.53 73.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.767 178.58 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 89.5 mtp -59.81 -41.48 91.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.215 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.47 HG13 ' O ' ' A' ' 10' ' ' THR . 74.5 mt -64.55 -48.96 82.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.838 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.61 -42.13 91.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.165 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.407 HG22 ' O ' ' A' ' 12' ' ' GLN . 88.1 t -61.54 -43.96 97.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 120.817 0.342 . . . . 0.0 110.58 178.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.425 ' HB3' HD23 ' A' ' 107' ' ' LEU . . . -65.5 -40.69 93.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.443 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 48.6 mt-10 -62.05 -45.5 93.25 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.971 0.415 . . . . 0.0 110.691 177.237 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -64.25 -43.9 93.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.833 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.32 -49.03 83.02 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.109 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.517 ' HB3' HG22 ' A' ' 103' ' ' THR . . . -59.94 -47.72 84.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.406 . . . . 0.0 110.76 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.93 -44.57 97.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.31 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.413 ' HA ' ' HD2' ' A' ' 23' ' ' ARG . 10.6 tpt85 -66.69 -39.54 88.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.234 0.54 . . . . 0.0 110.253 -177.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.626 ' HE1' ' HA ' ' A' ' 96' ' ' LYS . 21.6 t80 -68.0 -36.39 79.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.245 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -69.23 -34.77 75.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.188 -178.04 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -73.08 -41.34 64.21 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.014 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.42 -97.56 1.06 Allowed Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.309 177.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -176.22 172.28 2.35 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -177.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -132.22 -87.95 0.45 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 170.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.4 p -119.29 4.32 11.27 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.644 0.735 . . . . 0.0 109.501 172.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -84.18 117.0 23.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.23 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -161.52 43.6 0.16 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.491 0.662 . . . . 0.0 109.847 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.1 t -79.56 85.6 5.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.565 -178.086 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.643 ' HA ' ' HB2' ' A' ' 38' ' ' GLU . 14.6 p90 -173.26 139.42 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.7 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -151.13 71.01 1.0 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.26 0.552 . . . . 0.0 109.725 169.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.2 t80 72.27 -16.39 0.43 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 114.976 -1.011 . . . . 0.0 113.0 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -121.79 -45.96 2.25 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.552 -0.718 . . . . 0.0 112.658 -176.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.643 ' HB2' ' HA ' ' A' ' 34' ' ' TYR . 7.7 mm-40 -40.46 -74.18 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -174.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.9 p -92.23 -7.22 48.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.197 0.522 . . . . 0.0 111.245 -177.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.475 ' O ' HG21 ' A' ' 40' ' ' ILE . 4.1 mp -93.92 10.94 3.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.963 0.887 . . . . 0.0 109.989 -175.059 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.527 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 57.7 tptt -106.53 -66.82 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.181 175.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.527 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 46.4 Cg_endo -67.1 -45.41 3.97 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 121.721 1.614 . . . . 0.0 112.806 -173.607 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.17 90.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.2 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.89 -47.98 81.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.852 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 49.1 mt-10 -56.71 -46.66 81.14 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.824 0.345 . . . . 0.0 111.228 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.406 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 7.3 mm-40 -61.63 -52.93 62.33 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.058 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -76.28 -25.98 55.45 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -172.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.563 ' HA ' HD22 ' A' ' 83' ' ' LEU . 36.6 t70 -61.95 -50.45 72.07 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 175.502 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -47.65 83.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.919 172.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.406 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 6.5 tp -55.2 -52.18 64.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.54 -176.344 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.57 -40.09 94.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.519 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.95 -43.91 86.58 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.162 0.506 . . . . 0.0 110.752 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.44 HH11 ' HD2' ' A' ' 53' ' ' ARG . 4.2 ttt85 -65.89 -41.97 90.88 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.466 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.414 ' HA ' ' HE3' ' A' ' 9' ' ' MET . 83.1 t90 -61.1 -48.59 80.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.484 179.062 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.8 -45.91 85.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -59.48 -46.88 87.52 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.544 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.04 -40.83 83.36 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.376 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.34 96.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.647 0.261 . . . . 0.0 111.047 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.402 HD21 ' HA ' ' A' ' 59' ' ' LEU . 30.4 mt -60.78 -38.01 83.84 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.993 177.183 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -68.92 -40.97 78.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.051 0.453 . . . . 0.0 109.832 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.85 -50.9 71.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.413 -178.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 34.8 pt -72.52 -18.05 18.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.949 0.404 . . . . 0.0 111.432 -177.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -81.96 -50.43 9.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.933 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.9 t -83.55 -37.25 13.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.573 -174.637 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.423 ' HE ' ' CD ' ' A' ' 120' ' ' GLU . 30.0 tpt180 -100.53 -99.83 0.25 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.171 -176.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -155.34 134.62 7.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 -172.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -92.32 104.02 0.2 Allowed 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.799 2.333 . . . . 0.0 110.565 168.423 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.627 ' HE3' ' OE1' ' A' ' 116' ' ' GLU . 8.3 mtmt -93.8 -58.12 2.35 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.473 -174.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.482 ' CB ' ' HB3' ' A' ' 112' ' ' ALA . 71.2 m-85 -105.36 -54.0 2.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.281 0.562 . . . . 0.0 109.745 178.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.8 p -74.03 154.09 6.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.918 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -123.99 164.91 18.39 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -57.3 -38.92 74.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.373 . . . . 0.0 110.27 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -59.5 -44.62 93.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.644 177.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.409 ' O ' HG22 ' A' ' 78' ' ' VAL . 14.9 mm100 -66.93 -37.07 83.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.838 -175.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.3 mm -58.25 -45.01 89.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.919 0.39 . . . . 0.0 110.971 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -72.27 -29.78 64.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.453 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.01 -47.79 60.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.702 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.51 HG11 HG11 ' A' ' 106' ' ' VAL . 98.4 t -61.47 -41.56 90.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.683 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.7 tttm -52.8 -54.27 36.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.799 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.59 -38.47 54.79 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.436 -175.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -66.51 -33.92 76.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.253 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -64.23 -36.68 84.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.914 0.387 . . . . 0.0 110.516 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.563 HD22 ' HA ' ' A' ' 48' ' ' ASP . 58.8 mt -65.23 -48.87 71.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.204 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.452 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 46.2 mt-10 -61.17 -40.68 94.79 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.211 177.181 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.514 HD13 HG23 ' A' ' 103' ' ' THR . 6.7 tt -52.56 -53.45 46.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.702 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 68.3 t -60.23 -46.08 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.011 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.2 tp -63.73 -52.08 62.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.686 -176.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.452 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 4.6 pt20 -71.75 -18.81 62.11 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.466 -174.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.8 t -66.13 -40.81 90.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.319 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -80.31 -49.73 11.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.448 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.406 HG21 ' HA ' ' A' ' 88' ' ' GLN . 31.6 m -73.93 -21.53 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.332 -0.395 . . . . 0.0 112.035 -174.393 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 38.0 m80 56.46 56.12 5.94 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.319 0.58 . . . . 0.0 110.188 -178.415 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -74.03 -11.98 60.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.679 -175.152 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.686 HD11 ' HB2' ' A' ' 98' ' ' ARG . 10.6 pt -132.52 -178.36 2.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.333 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -80.64 -70.38 0.53 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.702 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.626 ' HA ' ' HE1' ' A' ' 24' ' ' TYR . 38.4 ttmt -162.6 -60.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -173.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -52.74 -47.6 67.3 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -169.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.686 ' HB2' HD11 ' A' ' 94' ' ' ILE . 42.5 mtp180 -60.79 -40.41 92.55 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.952 -175.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.515 ' HB2' HD12 ' A' ' 94' ' ' ILE . 85.6 t80 -69.33 -44.52 71.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.067 0.461 . . . . 0.0 110.245 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -58.45 -47.93 82.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.485 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -58.95 -52.47 65.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.92 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.458 ' O ' HG22 ' A' ' 106' ' ' VAL . 82.8 mt -57.83 -51.57 68.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.993 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.517 HG22 ' HB3' ' A' ' 21' ' ' ALA . 27.1 m -60.6 -42.09 96.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.961 0.41 . . . . 0.0 111.186 -176.185 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -66.61 -43.26 85.25 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.305 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.1 m -60.76 -38.65 85.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.742 177.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.51 HG11 HG11 ' A' ' 78' ' ' VAL . 88.1 t -66.65 -51.17 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.831 176.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.425 HD23 ' HB3' ' A' ' 17' ' ' ALA . 67.3 mt -57.01 -45.12 83.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.765 0.317 . . . . 0.0 111.178 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -55.37 -43.52 75.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.592 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 25.1 m -74.36 -35.31 63.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.171 -178.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 83.3 mt -63.49 -42.19 98.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.793 0.33 . . . . 0.0 110.882 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -67.9 -30.38 69.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.404 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.482 ' HB3' ' CB ' ' A' ' 69' ' ' TYR . . . -62.53 -49.03 76.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.456 177.006 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.471 ' O ' HG13 ' A' ' 117' ' ' ILE . 47.5 t -63.5 -47.37 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.117 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -56.72 -47.15 80.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.488 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.01 -46.77 88.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.257 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.627 ' OE1' ' HE3' ' A' ' 68' ' ' LYS . 13.6 pt-20 -72.3 -25.99 61.79 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -176.507 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.471 HG13 ' O ' ' A' ' 113' ' ' VAL . 85.0 mt -67.24 -53.06 36.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.963 0.411 . . . . 0.0 110.298 172.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.27 -31.34 72.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.323 0.582 . . . . 0.0 110.679 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 52.1 ttm-85 -63.21 -33.69 76.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.307 177.324 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.423 ' CD ' ' HE ' ' A' ' 65' ' ' ARG . 3.4 tp10 -72.64 -53.85 10.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.359 178.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -146.68 137.14 23.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.695 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.4 m -154.66 9.55 0.34 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.283 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 . . . . . 0 C--N 1.328 -0.352 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.244 -176.278 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.7 mtp . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 35.1 tp -61.69 134.08 56.35 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -81.55 106.68 13.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.999 -177.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.658 HE21 HG21 ' A' ' 117' ' ' ILE . 0.2 OUTLIER -112.09 103.36 11.54 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 177.762 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.402 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 11.6 m -62.04 90.21 0.03 OUTLIER 'General case' 0 C--O 1.239 0.532 0 O-C-N 123.829 0.706 . . . . 0.0 111.602 -174.281 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 5' ' ' THR . 47.9 tp 170.54 -36.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.187 -175.462 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.495 HD11 ' HG3' ' A' ' 114' ' ' LYS . 58.9 tp -62.79 -36.51 83.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.731 -178.108 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.465 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 26.0 mp0 -60.9 -31.35 70.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.82 -177.346 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.465 ' CE ' ' HA ' ' A' ' 54' ' ' TRP . 52.2 ttp -68.34 -42.19 79.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.036 0.446 . . . . 0.0 110.049 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.488 ' O ' HG13 ' A' ' 14' ' ' ILE . 52.2 m -65.64 -43.78 88.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.052 175.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -63.58 -35.6 81.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.012 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -61.28 -45.28 95.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.461 175.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.566 ' SD ' HD21 ' A' ' 110' ' ' LEU . 49.4 ttm -64.6 -38.02 89.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.374 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.488 HG13 ' O ' ' A' ' 10' ' ' THR . 76.7 mt -57.86 -51.11 74.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 121.184 0.516 . . . . 0.0 110.41 176.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.465 ' CD ' ' HZ3' ' A' ' 19' ' ' LYS . 3.7 tp10 -59.35 -51.15 71.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.634 -178.197 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.9 t -60.69 -43.89 95.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.67 0.272 . . . . 0.0 110.907 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.82 -45.87 80.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.749 0.309 . . . . 0.0 111.063 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -69.44 -36.18 76.38 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.465 ' HZ3' ' CD ' ' A' ' 15' ' ' GLU . 37.3 mttp -79.11 -26.43 42.92 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.577 178.123 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.19 -43.43 93.1 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 171.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.461 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -66.53 -38.01 86.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.521 -0.339 . . . . 0.0 110.538 174.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -59.59 -43.27 93.72 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.774 177.489 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -58.1 -47.0 84.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.899 175.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -58.24 -40.13 80.92 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.904 176.394 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.461 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 74.7 mt-30 -64.6 -32.07 73.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.191 -179.003 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -76.39 -20.96 56.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.135 0.493 . . . . 0.0 110.072 176.056 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.5 176.61 14.83 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.538 177.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.4 pttt -77.37 82.57 3.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.763 0.792 . . . . 0.0 109.954 176.115 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -80.55 35.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.304 -176.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.0 t -106.99 12.94 28.13 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -57.94 -44.15 86.76 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.355 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.426 ' O ' ' HB2' ' A' ' 33' ' ' SER . 10.2 t-80 -131.98 129.0 39.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.898 174.772 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.426 ' HB2' ' O ' ' A' ' 32' ' ' HIS . 50.4 m 74.99 -172.78 0.11 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.865 0.728 . . . . 0.0 110.514 -176.468 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 65.77 55.07 1.0 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.585 0.707 . . . . 0.0 110.153 -174.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.871 ' HB3' ' HG3' ' A' ' 38' ' ' GLU . 22.6 t70 -74.94 154.61 38.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.314 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -52.59 -46.01 66.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.39 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -79.72 -16.77 55.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.648 0.261 . . . . 0.0 111.477 -173.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.871 ' HG3' ' HB3' ' A' ' 35' ' ' ASP . 59.1 mt-10 -72.17 -44.34 63.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.285 0.564 . . . . 0.0 110.473 177.555 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -106.22 -45.3 4.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.865 -170.214 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.2 mm -84.83 62.76 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.507 0.67 . . . . 0.0 111.189 -171.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.495 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 27.5 tptp -166.81 -62.08 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.475 171.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.49 ' CD ' ' HB3' ' A' ' 41' ' ' LYS . 30.2 Cg_endo -63.48 -41.4 26.12 Favored 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 121.836 1.69 . . . . 0.0 111.795 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.12 -37.27 69.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.859 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.0 t -59.54 -40.52 82.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.787 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.495 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 73.0 mm-40 -56.07 -44.51 79.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.317 0.58 . . . . 0.0 110.807 177.325 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -70.25 -46.64 64.02 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.164 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -54.88 -49.39 71.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.536 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -56.5 -53.98 51.15 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.543 0.527 . . . . 0.0 110.865 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.31 -41.21 88.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.243 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 tp -61.5 -52.95 62.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.627 -178.174 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.63 -42.14 99.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.767 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.37 -46.03 81.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.903 0.382 . . . . 0.0 111.211 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -36.36 78.48 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.725 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.465 ' HA ' ' CE ' ' A' ' 9' ' ' MET . 69.7 t90 -61.93 -43.05 99.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.406 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.93 -45.45 82.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.523 177.585 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -58.24 -48.12 81.41 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.236 177.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.24 -43.91 98.78 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.682 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.79 -44.6 80.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.969 0.414 . . . . 0.0 110.982 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 61.4 mt -63.2 -35.03 78.95 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.059 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.618 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 8.5 tp10 -55.19 -51.14 67.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.871 176.008 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.06 -39.77 94.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.881 -176.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.473 HG22 ' CG ' ' A' ' 67' ' ' PRO . 23.0 pt -72.77 -26.71 23.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -174.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.618 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 5.6 ptmm? -81.39 -28.89 34.16 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.922 0.391 . . . . 0.0 110.421 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 60' ' ' GLU . 95.6 t -82.22 -40.51 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.288 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -149.72 -175.16 4.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.768 0.318 . . . . 0.0 111.304 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -96.89 120.62 61.28 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.442 -178.141 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.473 ' CG ' HG22 ' A' ' 62' ' ' ILE . 2.0 Cg_endo -82.14 162.17 17.86 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.124 2.549 . . . . 0.0 111.077 173.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.569 ' HZ1' ' HB2' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -105.63 -48.8 3.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.673 0.273 . . . . 0.0 111.334 -176.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -92.98 -53.11 4.28 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -174.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.98 149.24 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.984 0.421 . . . . 0.0 111.636 -171.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -131.89 155.41 47.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.149 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -60.47 -44.06 96.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.731 -176.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -56.14 -35.09 66.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.042 0.448 . . . . 0.0 111.124 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.529 ' O ' HG23 ' A' ' 78' ' ' VAL . 13.8 mm-40 -70.15 -46.36 64.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.192 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.0 mt -58.17 -41.28 80.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.599 -177.061 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -73.02 -26.65 61.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.035 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.48 -42.04 26.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.154 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.529 HG23 ' O ' ' A' ' 74' ' ' GLN . 82.0 t -54.79 -38.34 43.7 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.178 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.86 -176.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -56.75 -51.52 68.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.893 0.378 . . . . 0.0 111.273 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -76.2 -43.01 44.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.361 -176.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.502 ' HB3' HG23 ' A' ' 102' ' ' ILE . 5.7 m-20 -58.78 -37.27 75.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.22 178.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -62.91 -47.53 82.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.807 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.73 -44.53 96.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.609 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 15.3 mm-40 -63.77 -45.41 89.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.849 176.371 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.4 tt -52.92 -52.64 57.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.471 -178.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.2 t -62.3 -46.7 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.912 0.387 . . . . 0.0 110.847 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.488 ' O ' HG23 ' A' ' 91' ' ' VAL . 59.6 tp -59.51 -54.07 50.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.341 -177.339 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.609 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 26.7 pt20 -83.22 1.01 42.87 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -174.069 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.9 t -69.74 -27.34 64.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 175.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -104.61 -50.92 3.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.278 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 87' ' ' LEU . 29.6 m -77.69 -33.75 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -176.221 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 57.27 89.93 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -113.47 30.5 7.17 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.982 0.42 . . . . 0.0 111.509 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.457 HD12 ' HB2' ' A' ' 99' ' ' PHE . 18.0 pt -136.21 -177.92 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.708 176.704 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -93.65 -76.55 0.47 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.055 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -148.97 -66.63 0.23 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -177.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -51.34 -45.37 62.29 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -170.032 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.57 -27.25 68.82 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -172.012 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.457 ' HB2' HD12 ' A' ' 94' ' ' ILE . 48.9 t80 -69.6 -44.23 71.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.154 0.502 . . . . 0.0 109.814 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -71.5 -39.83 70.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.278 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.68 -51.38 67.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.106 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.502 HG23 ' HB3' ' A' ' 81' ' ' ASN . 62.9 mt -58.29 -47.24 88.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.781 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 58.0 m -57.66 -46.15 84.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 0.0 110.734 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -62.73 -51.44 67.15 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.03 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.4 t -58.87 -39.49 81.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -176.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.516 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 92.4 t -68.56 -53.95 24.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.85 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -60.41 -38.17 83.2 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.56 0.208 . . . . 0.0 111.56 -178.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -60.76 -43.58 97.83 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.473 ' O ' HG22 ' A' ' 113' ' ' VAL . 38.5 m -67.43 -39.49 85.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.542 176.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.566 HD21 ' SD ' ' A' ' 13' ' ' MET . 97.0 mt -61.79 -44.1 97.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.032 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -62.17 -38.45 89.12 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.414 0.625 . . . . 0.0 109.686 176.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.536 ' O ' ' HG2' ' A' ' 116' ' ' GLU . . . -63.19 -44.96 93.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.056 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.473 HG22 ' O ' ' A' ' 109' ' ' THR . 95.5 t -72.64 -32.76 42.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.19 -177.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.495 ' HG3' HD11 ' A' ' 7' ' ' LEU . 60.3 tttt -55.36 -46.74 76.45 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.457 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.84 -45.68 85.08 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.99 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.536 ' HG2' ' O ' ' A' ' 112' ' ' ALA . 64.0 mm-40 -56.66 -48.19 78.14 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 123.394 0.434 . . . . 0.0 110.848 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.658 HG21 HE21 ' A' ' 4' ' ' GLN . 76.2 mt -61.43 -45.7 98.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.765 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.37 -16.43 61.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 21.0 tpt180 -88.24 -20.01 26.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.565 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -63.31 -55.03 28.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.963 173.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.7 t70 62.71 32.15 16.27 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.597 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.447 ' O ' ' HG2' ' A' ' 4' ' ' GLN . 4.1 m -141.47 169.41 17.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.792 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 74.2 mtt-85 . . . . . 0 N--CA 1.468 0.446 0 O-C-N 123.709 0.631 . . . . 0.0 112.37 176.49 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 98.2 mt 74.29 -177.63 0.17 Allowed 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.794 0.684 . . . . 0.0 111.818 178.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 p -118.94 179.59 4.11 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.276 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.413 ' HB3' ' H ' ' A' ' 5' ' ' THR . 36.4 mm-40 56.37 -144.95 0.64 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -177.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.632 HG21 ' HB3' ' A' ' 8' ' ' GLU . 2.7 m 63.11 31.53 15.74 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.397 0.618 . . . . 0.0 110.7 173.262 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.474 ' HG ' HD11 ' A' ' 117' ' ' ILE . 51.2 tp -54.82 -44.59 74.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.908 -174.631 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.1 tp -69.23 -53.27 20.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.989 -177.073 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.632 ' HB3' HG21 ' A' ' 5' ' ' THR . 34.0 tt0 -64.37 -38.43 91.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.455 -176.26 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.428 ' HE2' ' HA ' ' A' ' 54' ' ' TRP . 44.8 ttp -61.22 -38.51 86.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.962 0.41 . . . . 0.0 110.081 177.651 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.553 ' O ' HG13 ' A' ' 14' ' ' ILE . 37.1 m -69.78 -49.5 52.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.317 176.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.492 ' CD ' ' HZ1' ' A' ' 114' ' ' LYS . 5.6 mm-40 -53.26 -45.39 68.78 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.435 178.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.435 ' O ' HG23 ' A' ' 16' ' ' VAL . 57.0 tp60 -58.57 -48.51 80.66 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.28 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 50.3 ttm -62.97 -39.21 94.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.95 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.879 HG12 ' HB3' ' A' ' 110' ' ' LEU . 63.6 mt -65.66 -48.5 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.955 0.407 . . . . 0.0 110.215 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.474 ' HG2' ' HD2' ' A' ' 19' ' ' LYS . 41.4 tt0 -66.74 -37.06 83.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.722 -177.571 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 12' ' ' GLN . 53.5 t -64.5 -34.48 69.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.87 0.367 . . . . 0.0 110.609 176.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.432 ' HB3' HD22 ' A' ' 107' ' ' LEU . . . -74.63 -46.47 38.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.046 179.224 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -67.02 -41.17 87.07 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.701 0.286 . . . . 0.0 111.092 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.474 ' HD2' ' HG2' ' A' ' 15' ' ' GLU . 56.1 mttm -74.65 -18.13 60.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.322 174.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.31 -47.95 55.05 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.062 -0.59 . . . . 0.0 111.751 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.409 ' HA ' ' HE2' ' A' ' 99' ' ' PHE . . . -62.83 -40.0 96.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.288 0.566 . . . . 0.0 110.176 176.102 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.08 -46.24 89.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.82 176.071 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -69.82 -29.58 66.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.779 -178.302 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -65.99 -34.75 78.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.966 0.412 . . . . 0.0 110.362 175.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -63.8 -39.41 94.17 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -73.65 -34.13 64.82 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.604 174.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.62 16.66 2.35 Favored Glycine 0 C--N 1.331 0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 114.243 -172.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.416 ' HE2' ' HB3' ' A' ' 28' ' ' LYS . 5.0 tmmm? -71.27 -26.07 62.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 170.035 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.3 p30 -119.67 179.19 4.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.556 176.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.9 t -84.52 91.18 7.8 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 172.591 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -72.71 -38.44 67.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.828 -174.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -141.18 -162.74 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 177.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.7 m -71.83 64.42 0.49 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.535 0.683 . . . . 0.0 110.343 173.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -92.99 7.42 44.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.865 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -78.39 57.19 1.88 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.321 0.581 . . . . 0.0 110.15 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.608 ' HA ' ' CG1' ' A' ' 40' ' ' ILE . 80.8 m-85 61.96 -178.18 0.13 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.274 -0.876 . . . . 0.0 112.529 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 56.6 t80 65.28 -82.3 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.576 174.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.87 -42.75 99.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.728 0.299 . . . . 0.0 111.403 -173.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.5 m -91.88 -31.29 15.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.126 0.489 . . . . 0.0 110.962 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.608 ' CG1' ' HA ' ' A' ' 36' ' ' PHE . 35.6 mm -96.0 57.2 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 110.756 -175.418 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.564 ' HB2' ' HD3' ' A' ' 42' ' ' PRO . 9.7 mtpm? -148.56 -60.98 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.969 172.039 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.564 ' HD3' ' HB2' ' A' ' 41' ' ' LYS . 12.8 Cg_exo -69.65 -46.45 1.27 Allowed 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 121.905 1.737 . . . . 0.0 112.213 -175.6 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.82 -39.15 80.33 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.14 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.3 t -63.96 -45.65 96.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.723 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 43.2 mt-10 -64.58 -47.86 77.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.391 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -61.49 -49.46 76.66 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.93 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -63.03 -37.94 89.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.812 -177.252 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.572 ' HA ' HD22 ' A' ' 83' ' ' LEU . 24.3 t70 -62.33 -50.67 70.7 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.111 176.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -53.66 -49.3 68.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.679 173.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.5 tp -57.79 -49.57 76.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.621 -177.21 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.49 -44.45 95.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.454 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.56 -40.82 84.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.882 0.373 . . . . 0.0 111.27 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -74.09 -37.38 64.2 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.271 -177.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.428 ' HA ' ' HE2' ' A' ' 9' ' ' MET . 50.6 t90 -63.3 -45.53 90.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.076 0.465 . . . . 0.0 110.162 177.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . 0.471 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -59.34 -48.88 79.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.816 178.054 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -57.45 -46.51 83.52 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.93 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.16 -41.08 98.52 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.345 179.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.417 ' HB2' HD11 ' A' ' 75' ' ' ILE . . . -65.14 -34.43 78.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 178.388 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 83.6 mt -63.69 -38.91 92.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 177.471 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -61.42 -44.62 96.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.783 176.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.86 -50.54 73.01 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.075 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.732 HG23 ' HG3' ' A' ' 67' ' ' PRO . 37.9 pt -69.85 -18.43 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 111.835 -176.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -83.13 -28.06 29.69 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.999 0.428 . . . . 0.0 110.564 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.51 HG11 ' HG3' ' A' ' 65' ' ' ARG . 71.1 t -92.4 -50.29 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.092 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.51 ' HG3' HG11 ' A' ' 64' ' ' VAL . 52.3 mtp85 -124.58 -174.59 3.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.556 -174.608 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 79.9 mtt180 -109.53 137.06 20.23 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 120.688 0.28 . . . . 0.0 111.295 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.732 ' HG3' HG23 ' A' ' 62' ' ' ILE . 2.9 Cg_exo -75.59 168.32 24.65 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.771 2.314 . . . . 0.0 111.236 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -112.18 -35.14 5.72 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.57 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -126.34 -60.75 1.25 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.506 -177.231 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 p -54.98 144.71 5.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-O 121.367 0.603 . . . . 0.0 112.198 -178.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -113.79 148.24 36.92 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.657 ' HE2' HD12 ' A' ' 62' ' ' ILE . 16.4 ptpt -62.84 -39.0 93.01 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -170.103 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -67.62 -29.95 69.4 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.227 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.511 ' O ' HG21 ' A' ' 78' ' ' VAL . 15.2 mm-40 -61.77 -36.12 80.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.206 177.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.417 HD11 ' HB2' ' A' ' 58' ' ' ALA . 68.4 mt -63.61 -41.44 92.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.781 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.99 -34.74 75.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.34 178.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.46 -43.86 84.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.635 178.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.511 HG21 ' O ' ' A' ' 74' ' ' GLN . 79.8 t -56.46 -43.53 78.1 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.067 179.069 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -55.81 -48.96 74.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.701 0.286 . . . . 0.0 111.404 -178.185 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -71.9 -42.02 67.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.981 0.419 . . . . 0.0 110.665 -178.203 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -68.99 -33.73 74.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.889 -177.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -65.85 -39.85 91.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.089 0.471 . . . . 0.0 110.234 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.572 HD22 ' HA ' ' A' ' 48' ' ' ASP . 91.3 mt -67.17 -36.23 81.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.464 177.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.465 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 22.5 tt0 -73.96 -32.58 63.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.348 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.5 tt -55.8 -51.27 68.04 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.903 175.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.0 t -60.61 -41.82 89.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.3 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.604 ' O ' HG23 ' A' ' 91' ' ' VAL . 49.6 tp -58.61 -59.32 5.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.099 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.525 ' HB3' ' HB ' ' A' ' 94' ' ' ILE . 96.6 mt-30 -52.06 -43.11 63.65 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.486 0.491 . . . . 0.0 111.333 -176.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.7 m -58.82 -55.73 31.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.625 -176.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -80.3 -33.94 37.23 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -170.264 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 87' ' ' LEU . 14.7 m -88.27 -6.83 10.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.882 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 39.4 m80 58.7 30.69 20.29 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.589 176.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -83.16 -7.2 59.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.337 0.589 . . . . 0.0 110.293 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.833 HD11 ' HB2' ' A' ' 98' ' ' ARG . 10.5 tp -96.93 144.76 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.381 175.421 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -82.64 -71.98 0.47 Allowed 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.526 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.608 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -150.67 -75.73 0.15 Allowed 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -177.309 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -58.13 -55.83 29.94 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -169.641 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.833 ' HB2' HD11 ' A' ' 94' ' ' ILE . 69.1 mtt180 -53.19 -39.76 63.89 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -168.121 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.661 ' HB2' HG12 ' A' ' 94' ' ' ILE . 71.0 t80 -58.87 -53.71 55.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.796 0.331 . . . . 0.0 111.354 -177.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -67.18 -35.15 79.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.375 -175.135 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -67.55 -46.92 71.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.712 0.292 . . . . 0.0 110.663 177.083 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.411 HG13 ' O ' ' A' ' 98' ' ' ARG . 79.7 mt -57.28 -46.84 85.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.129 175.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.426 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 38.3 m -55.84 -49.6 72.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 176.7 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -62.42 -37.87 87.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.032 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.2 t -63.83 -38.89 92.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.947 0.403 . . . . 0.0 110.17 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 94.6 t -71.9 -44.31 67.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.128 176.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.432 HD22 ' HB3' ' A' ' 17' ' ' ALA . 90.9 mt -59.21 -39.15 81.76 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.481 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -55.22 -46.06 75.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.119 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.504 ' O ' HG22 ' A' ' 113' ' ' VAL . 24.3 m -69.55 -43.49 72.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.83 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.879 ' HB3' HG12 ' A' ' 14' ' ' ILE . 90.6 mt -60.88 -43.15 98.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.694 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -70.75 -28.14 64.47 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.023 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.44 -49.45 66.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 174.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.504 HG22 ' O ' ' A' ' 109' ' ' THR . 52.9 t -62.24 -43.55 98.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.177 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.492 ' HZ1' ' CD ' ' A' ' 11' ' ' GLU . 79.1 tttt -57.3 -43.97 83.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.076 178.002 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -60.29 -48.6 81.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.696 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.13 -42.37 99.17 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.398 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 113' ' ' VAL . 78.6 mt -61.87 -48.28 89.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 120.806 0.336 . . . . 0.0 110.752 177.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.724 ' HA ' ' HB2' ' A' ' 122' ' ' SER . . . -63.97 -31.38 72.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.225 0.536 . . . . 0.0 110.371 178.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.4 HH11 ' HD2' ' A' ' 119' ' ' ARG . 0.0 OUTLIER -67.95 -50.07 58.07 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.383 175.622 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.444 ' OE1' ' HA ' ' A' ' 120' ' ' GLU . 4.9 mm-40 -59.54 -60.33 4.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.13 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -165.45 103.22 0.72 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.978 0.418 . . . . 0.0 111.476 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.724 ' HB2' ' HA ' ' A' ' 118' ' ' ALA . 74.4 m -159.51 142.22 13.93 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.201 173.022 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.443 ' HA ' ' NE ' ' A' ' 123' ' ' ARG . 4.3 mmp_? . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.955 0.407 . . . . 0.0 111.348 -178.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.0 mtm . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 120.782 0.325 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 tt -142.35 106.81 4.8 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -89.04 93.89 9.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.058 0.456 . . . . 0.0 110.089 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.423 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 1.1 tm0? -82.47 118.73 23.44 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.8 m -67.46 -46.71 72.23 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -168.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.6 tp -59.88 -46.27 89.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.243 0.544 . . . . 0.0 111.028 -176.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.6 tp -68.99 -40.96 78.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.257 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 4' ' ' GLN . 2.0 tm-20 -55.38 -44.76 76.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.189 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 71.6 mtm -63.11 -40.49 97.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.713 0.292 . . . . 0.0 110.603 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.445 ' O ' HG13 ' A' ' 14' ' ' ILE . 20.2 m -65.06 -48.84 72.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.993 0.425 . . . . 0.0 110.08 177.456 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -55.6 -44.98 77.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.734 177.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.457 ' O ' HG22 ' A' ' 16' ' ' VAL . 63.3 tt0 -64.78 -42.83 94.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.099 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 56.3 mtt -60.1 -40.56 90.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.044 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.445 HG13 ' O ' ' A' ' 10' ' ' THR . 69.0 mt -60.0 -46.35 94.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.022 0.439 . . . . 0.0 110.207 176.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -65.26 -41.36 94.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.099 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 12' ' ' GLN . 55.0 t -58.98 -43.18 88.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.793 0.33 . . . . 0.0 110.506 178.287 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.96 -48.53 79.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.785 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -62.06 -42.71 99.47 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.823 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -64.43 -45.72 86.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.703 0.287 . . . . 0.0 110.661 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.92 -37.46 94.96 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.496 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.55 ' HA ' ' CZ ' ' A' ' 99' ' ' PHE . . . -60.87 -47.32 86.94 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.078 0.466 . . . . 0.0 111.046 178.793 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -70.7 -40.9 72.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.317 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -60.32 -43.06 96.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.975 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.431 ' HE1' ' CD2' ' A' ' 92' ' ' HIS . 88.2 t80 -63.11 -34.64 78.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.495 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.48 -27.13 64.95 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -81.36 -19.08 43.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.809 175.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -78.69 61.28 4.01 Favored Glycine 0 C--O 1.23 -0.149 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 176.145 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -79.27 -17.75 54.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.001 0.429 . . . . 0.0 111.157 -173.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -95.32 123.41 38.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.518 -178.589 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.9 t -142.48 18.06 2.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.051 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -78.44 -36.09 45.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.204 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -106.45 142.73 35.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.756 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.1 m -88.73 141.5 28.46 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.057 0.456 . . . . 0.0 111.472 -176.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -102.89 160.17 14.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.516 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -82.65 144.77 30.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.592 0.234 . . . . 0.0 110.924 178.618 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.521 ' HA ' HD11 ' A' ' 40' ' ' ILE . 95.8 m-85 -76.8 83.23 3.39 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 173.343 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -161.95 176.6 10.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.384 -174.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 66.57 -88.26 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 123.367 0.667 . . . . 0.0 112.296 174.539 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.6 7.14 47.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.229 0.538 . . . . 0.0 111.458 -173.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.521 HD11 ' HA ' ' A' ' 36' ' ' PHE . 71.8 mt -108.26 -48.75 7.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.426 -178.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.523 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 64.1 tttp -60.92 -62.38 6.1 Favored Pre-proline 0 CA--C 1.544 0.712 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -172.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.523 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 58.7 Cg_endo -71.41 -17.8 30.23 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.798 1.666 . . . . 0.0 112.816 -174.261 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.51 -34.81 74.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 40' ' ' ILE . 73.7 t -62.56 -53.3 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.59 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -56.21 -43.63 78.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.637 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -60.81 -58.99 6.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.494 0.664 . . . . 0.0 110.98 -179.019 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -67.73 -25.55 65.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.789 -175.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -65.85 -48.6 71.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 173.311 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -57.15 -48.16 79.4 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.516 174.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.08 -49.41 78.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.079 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.88 94.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.713 0.292 . . . . 0.0 111.455 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.451 ' O ' ' HG3' ' A' ' 56' ' ' GLU . . . -62.22 -51.45 67.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.561 178.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.548 HH21 ' CD ' ' A' ' 56' ' ' GLU . 2.2 mmp_? -63.18 -38.78 92.5 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.562 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 46.5 t90 -66.2 -44.43 83.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.248 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.46 95.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.359 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.548 ' CD ' HH21 ' A' ' 53' ' ' ARG . 49.0 mt-10 -60.54 -43.07 97.58 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.175 178.601 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.91 -44.39 55.8 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.608 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.424 ' O ' HG12 ' A' ' 62' ' ' ILE . . . -61.22 -47.04 87.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.795 0.331 . . . . 0.0 110.464 179.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.79 HD21 HD12 ' A' ' 62' ' ' ILE . 28.4 mt -61.27 -34.45 75.21 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.387 179.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -59.43 -53.64 55.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.008 0.432 . . . . 0.0 110.589 176.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.2 mp -68.28 -37.32 80.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.18 -175.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.79 HD12 HD21 ' A' ' 59' ' ' LEU . 34.9 pt -81.63 -13.25 12.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.607 -176.617 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -81.83 -39.18 24.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.988 0.423 . . . . 0.0 110.013 174.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.4 t -75.62 -40.5 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.446 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.7 mtp-105 -102.58 -163.09 0.97 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.583 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.408 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -121.2 125.99 26.74 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.514 170.947 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.719 ' HG3' ' HB ' ' A' ' 62' ' ' ILE . 36.1 Cg_exo -59.44 111.86 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.872 2.381 . . . . 0.0 111.744 179.511 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.653 ' HZ1' ' HB2' ' A' ' 68' ' ' LYS . 4.7 ttmp? -70.54 -72.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.171 -175.317 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.509 ' HB2' ' HB3' ' A' ' 112' ' ' ALA . 9.4 m-85 -86.42 -61.08 1.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.277 0.56 . . . . 0.0 110.56 -178.195 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.409 ' CG2' HG21 ' A' ' 109' ' ' THR . 8.0 p -65.83 143.41 15.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.679 -173.815 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -95.34 145.42 25.12 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 175.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.406 ' HD2' ' C ' ' A' ' 72' ' ' LYS . 0.5 OUTLIER -60.61 -39.28 87.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.255 0.55 . . . . 0.0 109.92 -177.629 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -62.13 -29.38 70.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.042 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.518 ' O ' HG23 ' A' ' 78' ' ' VAL . 52.1 mt-30 -68.11 -43.89 77.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.634 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 71.3 mt -58.35 -40.55 78.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.02 -37.39 84.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.071 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.21 -35.29 61.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.998 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.518 HG23 ' O ' ' A' ' 74' ' ' GLN . 75.5 t -58.87 -36.32 60.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -53.19 -51.6 61.54 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.98 0.419 . . . . 0.0 110.876 178.469 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -74.92 -43.88 51.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.65 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.27 -31.37 71.19 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.222 0.326 . . . . 0.0 111.668 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -66.43 -49.8 65.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.204 0.526 . . . . 0.0 110.229 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 97.0 mt -66.7 -34.81 78.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.28 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.576 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 9.9 tp10 -60.71 -45.94 92.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.028 175.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.3 tt -52.51 -45.35 66.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.916 0.388 . . . . 0.0 110.013 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 47.4 t -65.87 -44.99 92.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.806 176.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.414 ' O ' HG21 ' A' ' 91' ' ' VAL . 59.2 tp -64.28 -53.67 45.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.188 -176.162 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.576 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 1.2 pp0? -69.58 -9.48 54.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.707 0.289 . . . . 0.0 111.489 -177.488 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.9 t -72.73 -21.96 60.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.535 0.684 . . . . 0.0 109.215 175.087 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -104.52 -53.94 2.61 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.056 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.414 HG21 ' O ' ' A' ' 87' ' ' LEU . 27.1 m -74.28 -21.16 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -176.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.431 ' CD2' ' HE1' ' A' ' 24' ' ' TYR . 49.1 m170 60.8 32.44 20.14 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 172.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.25 58.41 4.46 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.633 0.73 . . . . 0.0 111.255 -179.323 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.807 HG21 ' HD3' ' A' ' 98' ' ' ARG . 39.0 pt -140.68 -178.67 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.048 -178.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -131.97 69.7 1.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.658 0.266 . . . . 0.0 110.88 175.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.1 tptm 61.45 -76.53 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.988 0.915 . . . . 0.0 112.815 176.491 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -61.77 -29.08 69.9 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 122.685 0.394 . . . . 0.0 111.234 -172.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.807 ' HD3' HG21 ' A' ' 94' ' ' ILE . 64.9 ttt180 -60.31 -30.89 69.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.279 -177.131 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.55 ' CZ ' ' HA ' ' A' ' 21' ' ' ALA . 77.8 t80 -64.09 -48.42 76.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.943 0.402 . . . . 0.0 110.505 -179.213 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -66.73 -34.63 78.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.513 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -59.45 -50.83 72.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.399 177.265 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 77.0 mt -61.94 -45.87 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.76 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.0 m -57.99 -50.44 73.38 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.562 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -45.51 93.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.902 -178.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.5 m -56.05 -41.62 75.33 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.781 0.324 . . . . 0.0 111.264 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.408 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 89.5 t -70.2 -51.39 39.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.986 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.489 HD22 HD13 ' A' ' 110' ' ' LEU . 52.5 mt -62.39 -37.5 86.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.775 -177.292 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -55.79 -47.49 76.99 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.199 0.524 . . . . 0.0 110.521 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.489 HG23 HG22 ' A' ' 78' ' ' VAL . 91.5 m -67.56 -42.61 82.34 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.07 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.489 HD13 HD22 ' A' ' 107' ' ' LEU . 96.0 mt -58.77 -39.94 82.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -64.97 -37.71 88.56 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.991 0.424 . . . . 0.0 110.599 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.509 ' HB3' ' HB2' ' A' ' 69' ' ' TYR . . . -68.03 -38.39 82.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.278 -177.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.3 t -74.92 -41.58 46.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.213 0.53 . . . . 0.0 110.335 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -56.21 -42.6 77.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.883 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.94 -41.4 87.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.85 -41.04 99.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.435 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 68.8 mt -61.23 -44.15 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.946 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.64 -30.91 68.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 25.6 ttm105 -66.81 -49.25 66.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.254 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -74.44 -22.08 59.29 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -175.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 18.5 t70 67.39 104.52 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.476 0.655 . . . . 0.0 110.754 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 35.1 m -82.77 101.59 11.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.278 -177.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.448 177.678 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 121.195 0.522 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mp -118.22 -171.27 2.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.329 173.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.54 ' HA ' ' HB2' ' A' ' 123' ' ' ARG . 3.0 p -93.87 21.47 6.57 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.13 0.49 . . . . 0.0 110.886 177.761 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -70.5 93.23 0.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.249 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.2 m 176.57 -34.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 125.127 1.371 . . . . 0.0 108.368 -173.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 26.1 tp -130.6 -20.7 2.88 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.922 -175.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.464 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 49.8 tp -77.3 -47.5 19.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.43 -173.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.46 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 1.0 OUTLIER -56.52 -42.8 79.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.979 0.419 . . . . 0.0 110.757 -176.9 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.544 ' SD ' ' HD2' ' A' ' 53' ' ' ARG . 49.5 ttp -57.99 -41.79 83.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.721 177.461 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.487 ' O ' HG13 ' A' ' 14' ' ' ILE . 24.8 m -67.1 -45.19 77.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.95 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.464 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 30.7 mm-40 -57.12 -44.13 83.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.209 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.467 ' O ' HG22 ' A' ' 16' ' ' VAL . 53.0 tt0 -61.45 -42.06 98.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.569 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.53 ' SD ' HD23 ' A' ' 110' ' ' LEU . 49.0 ttm -66.54 -38.54 87.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.55 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.487 HG13 ' O ' ' A' ' 10' ' ' THR . 77.8 mt -63.02 -49.8 82.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.445 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -58.75 -43.33 90.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.485 -177.22 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.467 HG22 ' O ' ' A' ' 12' ' ' GLN . 94.3 t -61.73 -44.64 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.036 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.88 -47.95 73.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.728 0.299 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.3 -44.3 95.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.601 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -74.77 -37.52 62.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.453 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.06 -41.41 95.15 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.382 -0.914 . . . . 0.0 112.372 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.529 ' HA ' ' CE2' ' A' ' 99' ' ' PHE . . . -64.53 -45.18 88.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.969 0.414 . . . . 0.0 110.939 178.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -69.34 -40.57 77.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.934 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -65.54 -35.96 82.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.918 0.389 . . . . 0.0 110.651 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.526 ' HE1' ' HD2' ' A' ' 92' ' ' HIS . 45.4 t80 -71.1 -34.5 71.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.172 0.511 . . . . 0.0 109.924 178.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -66.76 -52.51 43.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.836 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -69.63 -44.5 70.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.77 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.13 -91.4 1.29 Allowed Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.512 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 tptp 60.83 89.53 0.07 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.432 0.634 . . . . 0.0 110.064 -174.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -61.1 123.66 18.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.98 -177.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.4 m -93.63 99.44 11.88 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -49.95 -62.43 1.58 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.399 -0.818 . . . . 0.0 112.506 -170.687 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -137.84 42.28 2.29 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.303 0.573 . . . . 0.0 110.463 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 34' ' ' TYR . 11.6 m -140.33 157.37 45.66 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.711 179.453 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.411 ' HB2' ' O ' ' A' ' 33' ' ' SER . 96.6 m-85 77.85 -12.99 1.0 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.399 0.68 . . . . 0.0 112.49 172.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -78.0 92.04 4.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.922 0.392 . . . . 0.0 110.911 -176.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.548 ' HA ' HD11 ' A' ' 40' ' ' ILE . 76.2 m-85 69.55 155.75 0.13 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.798 176.638 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 43.6 t80 71.08 -57.22 0.61 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.622 174.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.73 -72.14 0.16 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -173.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.9 m -93.99 -23.63 17.96 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.883 0.373 . . . . 0.0 111.972 -173.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.548 HD11 ' HA ' ' A' ' 36' ' ' PHE . 10.3 mt -83.53 15.6 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-O 121.356 0.598 . . . . 0.0 111.135 -173.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.599 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 63.0 tttp -118.45 -67.23 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.515 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.414 174.522 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.477 ' CD ' ' HB3' ' A' ' 41' ' ' LYS . 16.3 Cg_endo -57.19 -31.91 91.96 Favored 'Trans proline' 0 C--N 1.364 1.375 0 C-N-CA 122.282 1.988 . . . . 0.0 112.829 -175.046 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.55 -46.84 68.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.243 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.4 t -63.15 -40.27 88.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.697 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.599 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 5.3 mm-40 -56.72 -49.02 76.42 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.237 0.541 . . . . 0.0 109.968 177.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.456 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 55.1 mm-40 -60.84 -49.41 77.61 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.039 176.366 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -58.82 -44.39 90.83 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -59.66 -55.04 39.42 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.209 0.318 . . . . 0.0 110.764 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -61.93 -39.83 93.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.046 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.456 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 12.8 tp -64.39 -53.74 43.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.498 -176.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.5 86.78 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.045 -177.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.755 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . . . -64.87 -56.85 10.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.562 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.544 ' HD2' ' SD ' ' A' ' 9' ' ' MET . 1.8 tmt_? -65.87 -33.25 75.41 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.077 -177.473 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.516 ' HA ' ' CE ' ' A' ' 9' ' ' MET . 59.0 t90 -66.43 -49.24 67.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.626 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.75 -45.2 90.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.247 178.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -60.35 -41.74 94.28 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.418 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.72 -43.36 67.7 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.736 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.12 -43.06 96.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.903 0.382 . . . . 0.0 110.779 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.45 HD22 HD12 ' A' ' 62' ' ' ILE . 52.0 mt -61.61 -37.56 84.36 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.849 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.411 ' O ' HG21 ' A' ' 64' ' ' VAL . 17.4 tp10 -54.98 -51.9 64.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.074 177.164 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.42 HD12 ' HA ' ' A' ' 61' ' ' LEU . 4.1 mm? -63.74 -46.49 85.13 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -176.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.45 HD12 HD22 ' A' ' 59' ' ' LEU . 35.6 pt -72.53 -17.58 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.906 0.384 . . . . 0.0 111.154 -177.677 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -78.19 -42.84 30.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.338 177.088 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.411 HG21 ' O ' ' A' ' 60' ' ' GLU . 93.4 t -74.0 -48.48 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.669 -177.684 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -99.6 -78.83 0.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.781 0.324 . . . . 0.0 111.04 -178.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.723 ' HG2' ' HD2' ' A' ' 67' ' ' PRO . 3.2 ttm180 -174.3 157.25 2.48 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -178.151 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.723 ' HD2' ' HG2' ' A' ' 66' ' ' ARG . 15.2 Cg_exo -70.94 106.54 1.9 Allowed 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 121.746 1.631 . . . . 0.0 112.082 172.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.39 124.27 35.45 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 176.463 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 66.32 -70.81 0.1 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.769 0.668 . . . . 0.0 111.661 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.1 p -76.57 147.5 7.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.605 0.717 . . . . 0.0 111.661 -173.402 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -97.54 145.97 25.72 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 173.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.72 ' HZ1' ' HB2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -58.5 -34.4 70.89 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.296 0.498 . . . . 0.0 111.773 -173.334 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -66.95 -29.16 68.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.738 0.304 . . . . 0.0 110.962 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -67.37 -39.04 85.64 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 65.6 mt -63.02 -43.02 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.027 176.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 57.5 mm-40 -58.19 -43.06 87.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.59 177.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.17 -50.83 59.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.184 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.464 HG11 HG12 ' A' ' 106' ' ' VAL . 65.8 t -58.19 -38.35 67.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.339 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.755 ' HE3' ' HA ' ' A' ' 52' ' ' ALA . 87.4 tttt -57.21 -43.44 82.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.808 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.22 -45.1 27.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.615 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -56.69 -38.95 72.97 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.316 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -60.81 -45.93 92.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.864 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.29 -42.76 83.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.774 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -61.7 -43.19 99.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.526 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.9 tt -55.13 -53.35 57.05 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.461 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.1 t -61.66 -47.97 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.35 -48.17 82.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.494 -177.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.475 ' HA ' HG21 ' A' ' 91' ' ' VAL . 28.2 mm-40 -73.08 -19.5 61.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.586 -175.088 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.8 t -69.16 -50.55 46.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.342 . . . . 0.0 110.283 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -65.42 -39.02 91.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.463 -178.53 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.475 HG21 ' HA ' ' A' ' 88' ' ' GLN . 23.5 m -83.14 -8.36 11.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.34 -178.009 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.526 ' HD2' ' HE1' ' A' ' 24' ' ' TYR . 39.2 m80 62.73 33.0 15.81 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.366 175.311 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -90.57 -14.89 31.63 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.022 0.439 . . . . 0.0 110.645 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 9.6 tp -94.3 145.04 8.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.507 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -96.78 150.36 20.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.506 ' HA ' ' HB3' ' A' ' 99' ' ' PHE . 20.8 pttp -64.49 -22.42 66.96 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -171.2 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -59.8 -57.48 12.71 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.373 0.606 . . . . 0.0 110.44 174.1 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -79.53 -26.48 41.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.528 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.529 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 65.1 t80 -58.05 -48.59 79.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.664 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -69.1 -37.18 78.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.283 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -57.9 -50.86 71.89 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.66 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.418 ' O ' HG22 ' A' ' 106' ' ' VAL . 83.1 mt -62.02 -49.82 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.717 178.539 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 31.1 m -56.35 -47.41 78.88 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 -179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -62.21 -46.89 86.89 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.7 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.2 m -56.33 -41.84 76.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.926 177.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.464 HG12 HG11 ' A' ' 78' ' ' VAL . 75.7 t -65.78 -50.89 67.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.637 177.492 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.445 HD21 HD11 ' A' ' 110' ' ' LEU . 97.3 mt -59.54 -40.48 87.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.237 -178.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -54.46 -51.45 64.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 110.865 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' THR . . . . . . . . . . . . . 88.9 m -62.34 -39.72 94.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.74 178.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.53 HD23 ' SD ' ' A' ' 13' ' ' MET . 96.0 mt -60.96 -41.38 96.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 177.397 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 58.4 m170 -69.0 -33.29 73.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.407 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.62 74.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.99 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.535 ' O ' HG13 ' A' ' 117' ' ' ILE . 66.8 t -70.44 -44.25 77.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.175 -179.267 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -57.27 -37.67 72.72 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.181 0.515 . . . . 0.0 110.681 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.639 ' O ' ' HB2' ' A' ' 119' ' ' ARG . 14.6 t70 -60.89 -52.27 65.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.774 -178.108 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.431 ' HA ' ' HB2' ' A' ' 119' ' ' ARG . 6.3 pt-20 -66.92 -32.46 73.73 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -178.456 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 113' ' ' VAL . 74.1 mt -57.03 -39.8 68.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.853 0.359 . . . . 0.0 110.571 177.667 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -94.06 -17.4 22.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.413 . . . . 0.0 111.148 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.639 ' HB2' ' O ' ' A' ' 115' ' ' ASP . 1.4 tpt180 -73.37 -55.13 6.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.449 -177.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -87.36 -41.72 13.4 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 176.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.8 t70 57.95 88.06 0.06 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.413 175.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.3 t -160.99 87.98 0.74 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.125 175.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.54 ' HB2' ' HA ' ' A' ' 3' ' ' SER . 5.1 mmp_? . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.72 177.145 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tmm? . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . 0.484 ' O ' ' HG ' ' A' ' 2' ' ' LEU . 1.6 pt? -140.12 93.54 2.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.485 ' HG ' ' CD ' ' A' ' 8' ' ' GLU . 10.0 t -176.48 -38.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.21 -174.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 69.14 -80.06 0.04 OUTLIER 'General case' 0 C--O 1.233 0.228 0 CA-C-N 114.862 -1.063 . . . . 0.0 112.432 174.218 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.6 t -175.58 36.42 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.357 0.599 . . . . 0.0 110.82 -172.289 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.5 tp -162.47 -36.24 0.04 OUTLIER 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.579 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.593 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 57.4 tp -64.36 -50.26 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.653 -177.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.485 ' CD ' ' HG ' ' A' ' 3' ' ' SER . 1.6 pm0 -61.82 -32.32 72.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.921 -178.199 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.403 ' O ' ' HG3' ' A' ' 13' ' ' MET . 77.4 mtp -62.16 -45.4 93.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.825 177.384 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.437 ' O ' HG13 ' A' ' 14' ' ' ILE . 23.7 m -66.68 -43.16 85.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.226 178.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.593 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 19.8 mm-40 -56.94 -41.93 79.13 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.433 177.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.476 ' O ' HG23 ' A' ' 16' ' ' VAL . 61.1 tt0 -65.85 -42.72 90.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.957 178.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.403 ' HG3' ' O ' ' A' ' 9' ' ' MET . 80.1 mtp -62.13 -39.59 93.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.957 179.425 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.437 HG13 ' O ' ' A' ' 10' ' ' THR . 81.1 mt -60.2 -44.71 96.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.058 0.456 . . . . 0.0 109.797 175.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -61.79 -46.84 87.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.106 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 12' ' ' GLN . 62.0 t -62.11 -46.17 97.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.882 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.2 -46.58 89.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.759 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -60.77 -47.41 86.45 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.484 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -60.21 -49.24 78.39 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.787 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.36 -36.77 92.09 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.881 -177.121 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' HA ' ' HE1' ' A' ' 99' ' ' PHE . . . -70.72 -39.24 73.52 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -178.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -77.69 -28.91 51.18 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.801 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -64.47 -36.3 83.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.467 0.651 . . . . 0.0 109.421 171.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.667 ' HD1' ' HA ' ' A' ' 89' ' ' SER . 9.4 t80 -65.8 -34.72 78.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.135 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.19 -50.45 54.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.779 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -75.58 -27.31 58.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.235 -176.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -78.88 58.26 4.27 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.473 175.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.735 ' HB2' ' HZ2' ' A' ' 28' ' ' LYS . 0.1 OUTLIER -94.67 -18.35 21.4 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -173.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -101.92 -47.77 4.47 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.702 -178.42 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.7 m -67.6 124.46 23.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.653 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . 0.516 HD21 ' N ' ' A' ' 31' ' ' ASN . 0.8 OUTLIER -75.32 -84.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -179.126 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -163.85 70.54 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.47 0.653 . . . . 0.0 110.824 171.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.5 t -81.26 68.3 7.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.432 0.634 . . . . 0.0 110.294 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -135.11 149.79 50.09 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.823 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -75.91 -73.52 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.045 175.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 54.8 t80 -165.19 -72.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.987 0.422 . . . . 0.0 110.364 173.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -86.01 22.56 1.69 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.48 -174.311 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -60.6 -55.22 35.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.479 0.656 . . . . 0.0 109.395 172.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.412 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 5.2 t -133.52 -19.11 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.38 174.797 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 mp -84.0 71.63 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-O 121.483 0.659 . . . . 0.0 109.273 178.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.574 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 43.4 tptt -169.52 -57.63 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.924 178.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.574 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 47.9 Cg_exo -56.96 -33.07 94.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 121.805 1.67 . . . . 0.0 112.497 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.98 -22.38 49.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.636 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 66.4 t -62.11 -50.12 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.07 -174.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -60.03 -39.47 86.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.438 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.409 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 33.1 mm-40 -64.43 -53.09 53.84 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-O 120.609 0.242 . . . . 0.0 111.134 178.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -59.92 -43.98 94.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.454 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.78 -53.42 58.36 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.169 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.18 -42.95 99.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.188 177.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 12.7 tp -58.39 -53.23 60.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.685 -177.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.732 ' HB3' ' HG3' ' A' ' 79' ' ' LYS . . . -60.06 -44.62 94.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.481 -177.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.57 -52.41 57.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.18 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.59 -38.01 88.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.269 -176.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.5 t90 -69.09 -43.11 75.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.598 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.34 87.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.892 0.377 . . . . 0.0 110.324 176.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -59.77 -40.8 89.42 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.831 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.91 -42.24 45.95 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.299 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.51 89.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.788 0.328 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.656 HD23 HD13 ' A' ' 62' ' ' ILE . 29.3 mt -62.97 -33.9 76.37 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.851 178.083 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 64' ' ' VAL . 26.1 tp10 -62.41 -49.32 75.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.457 174.585 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.6 tt -63.66 -47.41 81.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.205 -175.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.656 HD13 HD23 ' A' ' 59' ' ' LEU . 42.8 pt -73.03 -8.4 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.063 0.459 . . . . 0.0 111.014 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.433 ' HB3' ' O ' ' A' ' 60' ' ' GLU . 15.1 tttt -81.91 -45.88 14.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.777 172.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 60' ' ' GLU . 86.3 t -61.0 -48.36 89.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.782 -176.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 65' ' ' ARG . 0.3 OUTLIER -122.48 177.58 5.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 -175.696 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -92.48 108.13 28.99 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 177.107 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.428 ' HG3' ' HB ' ' A' ' 62' ' ' ILE . 55.9 Cg_endo -70.75 170.91 16.62 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.535 2.157 . . . . 0.0 111.518 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.68 ' HZ1' ' HB3' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -157.84 -29.71 0.08 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.592 178.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -94.36 -36.03 12.12 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.015 0.436 . . . . 0.0 110.004 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.481 HG21 HG22 ' A' ' 113' ' ' VAL . 7.1 p -103.43 142.13 17.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.585 177.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -116.51 153.38 32.27 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -67.59 -27.8 67.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.288 -178.022 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -61.64 -41.13 97.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.036 0.446 . . . . 0.0 110.405 172.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.451 ' HB3' ' CG2' ' A' ' 109' ' ' THR . 54.9 mt-30 -62.13 -40.53 96.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.292 -177.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.3 mm -61.63 -43.75 97.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.029 0.443 . . . . 0.0 110.655 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -72.17 -36.42 69.28 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.35 74.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.769 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.493 HG13 HG11 ' A' ' 106' ' ' VAL . 66.8 t -63.26 -38.75 82.95 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.681 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.732 ' HG3' ' HB3' ' A' ' 51' ' ' ALA . 38.7 ttpt -55.84 -45.69 78.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.974 0.416 . . . . 0.0 111.027 179.202 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -77.09 -47.37 20.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.044 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -60.92 -38.25 85.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.715 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -61.45 -47.38 85.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.802 0.334 . . . . 0.0 110.612 -177.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 53.2 mt -60.78 -42.18 97.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.966 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.629 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 45.4 tt0 -67.53 -42.93 81.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.234 178.041 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.87 -50.45 68.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.721 -178.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 84.2 t -57.52 -46.1 86.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.724 179.31 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 61.7 tp -61.37 -42.67 99.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.99 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.629 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 28.6 mm-40 -65.37 -36.19 83.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 -177.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' SER . . . . . 0.667 ' HA ' ' HD1' ' A' ' 24' ' ' TYR . 26.7 t -55.93 -38.5 70.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.689 -175.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -82.31 -49.28 10.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.739 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.8 m -78.05 -21.14 13.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -173.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 36.3 m80 58.38 53.66 6.19 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.333 0.587 . . . . 0.0 110.08 -177.458 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . 0.426 ' HB3' ' OE1' ' A' ' 88' ' ' GLN . 73.5 t60 -79.08 -44.26 22.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.049 -176.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.6 pt -97.68 -168.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.856 0.36 . . . . 0.0 110.949 -177.354 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -109.57 154.71 22.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.635 -178.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 49.1 mtmt -56.76 -43.38 80.7 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -174.052 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -55.28 -45.28 76.18 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.967 0.413 . . . . 0.0 110.851 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.436 ' O ' HG13 ' A' ' 102' ' ' ILE . 8.0 tpm_? -73.95 -39.13 63.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.093 -179.288 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.42 ' HE1' ' HA ' ' A' ' 21' ' ' ALA . 34.6 t80 -63.4 -49.15 74.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.765 -178.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -64.46 -31.68 72.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.996 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -68.0 -44.58 76.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.997 0.427 . . . . 0.0 110.414 175.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.436 HG13 ' O ' ' A' ' 98' ' ' ARG . 84.5 mt -60.14 -41.75 87.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.701 173.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.1 m -59.24 -45.91 89.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.205 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -59.56 -42.64 92.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.425 175.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.4 t -57.97 -44.67 87.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.06 0.457 . . . . 0.0 110.321 177.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.493 HG11 HG13 ' A' ' 78' ' ' VAL . 98.6 t -67.28 -53.22 34.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.006 178.016 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.516 HD22 HD11 ' A' ' 110' ' ' LEU . 82.4 mt -62.97 -38.19 90.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -175.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -63.11 -40.48 97.74 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.496 ' O ' HG21 ' A' ' 113' ' ' VAL . 86.4 m -64.52 -45.21 88.23 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.303 175.132 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.516 HD11 HD22 ' A' ' 107' ' ' LEU . 99.1 mt -61.62 -38.04 86.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -64.08 -37.91 89.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.593 176.348 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.19 -44.02 85.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.702 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.496 HG21 ' O ' ' A' ' 109' ' ' THR . 50.5 t -65.11 -50.35 74.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.867 178.403 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.489 ' HZ2' ' CD ' ' A' ' 11' ' ' GLU . 63.3 tttp -54.53 -42.68 71.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.109 179.261 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.504 ' O ' ' HB2' ' A' ' 119' ' ' ARG . 19.3 t0 -60.95 -51.2 70.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.999 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.49 -32.82 73.06 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.484 HG13 ' O ' ' A' ' 113' ' ' VAL . 64.2 mt -63.0 -50.78 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.303 175.657 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.75 -9.79 58.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.155 0.502 . . . . 0.0 110.681 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.504 ' HB2' ' O ' ' A' ' 115' ' ' ASP . 6.0 ttt180 -99.36 -7.67 25.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.129 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.451 ' HB2' ' O ' ' A' ' 117' ' ' ILE . 13.8 mm-40 -65.31 -61.85 1.88 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.744 177.435 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -125.63 158.7 34.03 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 18.3 m -128.8 161.58 29.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.764 0.316 . . . . 0.0 111.039 -175.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.658 178.948 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.968 0.413 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 36.1 tp -142.25 63.93 1.39 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.961 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.5 m 54.74 57.0 6.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.868 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -74.44 133.31 42.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.012 0.434 . . . . 0.0 110.051 177.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' THR . . . . . 0.434 HG21 ' HB3' ' A' ' 7' ' ' LEU . 9.6 m -73.01 109.82 6.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.808 -177.855 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.3 tp -59.62 -35.08 73.65 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.076 177.605 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.434 ' HB3' HG21 ' A' ' 5' ' ' THR . 57.7 tp -56.48 -46.44 80.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.045 177.101 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -63.73 -37.48 87.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.605 -177.364 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 44.8 ttp -70.04 -36.68 75.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.9 0.381 . . . . 0.0 109.984 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.562 ' O ' HG13 ' A' ' 14' ' ' ILE . 27.5 m -64.07 -44.45 92.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.777 174.907 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -52.7 -51.19 61.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.429 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.499 ' O ' HG23 ' A' ' 16' ' ' VAL . 62.1 tt0 -59.99 -43.51 95.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.772 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.0 ttt -64.32 -38.17 90.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.571 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.562 HG13 ' O ' ' A' ' 10' ' ' THR . 73.3 mt -60.89 -46.59 96.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.286 176.811 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.93 -39.35 89.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.174 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.499 HG23 ' O ' ' A' ' 12' ' ' GLN . 62.1 t -64.64 -40.21 88.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.782 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.77 91.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.891 0.377 . . . . 0.0 110.494 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -58.49 -49.02 78.86 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.65 175.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.568 ' HA ' ' HB3' ' A' ' 22' ' ' ASP . 29.6 mmtm -70.49 -22.63 62.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.044 -178.629 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.28 -47.02 84.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.694 173.638 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.53 ' HB3' HG22 ' A' ' 103' ' ' THR . . . -68.06 -37.74 81.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.252 0.548 . . . . 0.0 109.999 175.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.568 ' HB3' ' HA ' ' A' ' 19' ' ' LYS . 9.9 t70 -58.44 -41.86 86.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.716 174.666 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.75 -34.75 78.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.475 -178.67 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -72.06 -36.89 69.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.425 175.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -63.73 -46.81 83.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.686 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -68.79 -61.2 1.91 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.886 -178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.43 -61.41 4.62 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.057 -175.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -115.11 51.63 0.9 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.158 0.504 . . . . 0.0 111.236 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -69.04 -36.98 78.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.474 177.436 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.9 p -155.82 133.72 11.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.192 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.0 p30 -92.01 -12.0 34.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.075 0.464 . . . . 0.0 110.497 178.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -95.23 162.33 13.74 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 167.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.49 ' HA ' ' CB ' ' A' ' 38' ' ' GLU . 25.3 m 73.16 -49.31 0.69 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.503 0.502 . . . . 0.0 110.548 -176.254 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -82.09 73.77 9.11 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.652 0.739 . . . . 0.0 109.523 173.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -152.33 57.56 0.83 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.793 177.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.8 t80 61.83 -83.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.635 -1.166 . . . . 0.0 111.999 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -60.27 -46.82 88.5 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -169.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.49 ' CB ' ' HA ' ' A' ' 33' ' ' SER . 36.8 mt-10 -63.21 -27.38 69.31 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -173.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.546 HG21 HG12 ' A' ' 40' ' ' ILE . 9.3 t -107.29 -39.18 5.75 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.539 -178.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.546 HG12 HG21 ' A' ' 39' ' ' THR . 39.3 mm -91.28 65.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.66 0.743 . . . . 0.0 109.494 -179.071 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.611 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 46.2 tptt -170.13 -60.8 0.0 OUTLIER Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.354 174.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.611 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 6.4 Cg_exo -73.89 -47.07 0.28 Allowed 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 121.709 1.606 . . . . 0.0 111.443 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.83 -30.43 71.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.185 -178.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.9 t -63.61 -54.98 25.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.707 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -61.96 -44.28 97.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.695 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.416 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 45.0 mm-40 -56.2 -54.31 46.73 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.452 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -68.85 -36.01 77.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.5 -178.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.523 ' HA ' HD21 ' A' ' 83' ' ' LEU . 28.0 t70 -55.49 -52.99 61.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.98 0.419 . . . . 0.0 110.565 175.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -71.33 -30.59 66.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.045 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.416 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 12.5 tp -63.38 -51.67 64.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.946 0.403 . . . . 0.0 110.264 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.63 -38.07 86.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.66 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.41 -51.35 66.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.841 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -59.6 -45.4 92.01 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.33 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -62.41 -45.82 91.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.466 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.7 89.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.418 177.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -60.46 -48.56 81.24 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.105 177.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.61 -41.58 99.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.363 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.439 ' HB1' HD13 ' A' ' 75' ' ' ILE . . . -66.11 -43.07 88.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.786 0.327 . . . . 0.0 110.864 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.598 HD22 HD13 ' A' ' 62' ' ' ILE . 51.3 mt -65.53 -36.29 83.38 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.091 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.424 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 9.2 tp10 -63.73 -42.49 97.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.271 176.83 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.8 tp -63.43 -47.3 82.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.067 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.598 HD13 HD22 ' A' ' 59' ' ' LEU . 34.8 pt -79.68 -2.14 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.391 0.615 . . . . 0.0 110.912 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.424 ' HB3' ' O ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -82.65 -36.35 26.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.233 171.3 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 68.3 t -68.08 -55.31 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.394 178.184 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 64.7 mtt180 -136.45 -161.96 1.22 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.616 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.401 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 8.0 mpt_? -90.58 149.06 40.05 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.787 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 8.1 Cg_exo -70.38 138.39 35.74 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.644 2.23 . . . . 0.0 110.817 173.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -86.9 -55.84 3.66 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.996 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -125.33 -43.7 1.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.857 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.78 154.12 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 172.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.434 ' O ' HG13 ' A' ' 75' ' ' ILE . 27.9 m80 -129.36 149.28 51.21 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.315 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -60.61 -35.89 77.25 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -48.69 -49.99 35.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.617 172.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -71.58 -40.04 70.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.604 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.439 HD13 ' HB1' ' A' ' 58' ' ' ALA . 93.2 mt -59.62 -45.16 94.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.814 0.34 . . . . 0.0 111.231 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.56 -32.49 69.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.1 0.476 . . . . 0.0 110.533 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.3 -51.31 31.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.797 177.387 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.402 HG13 HG21 ' A' ' 106' ' ' VAL . 54.6 t -58.97 -40.84 81.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.042 -178.029 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.548 ' HD3' ' N ' ' A' ' 80' ' ' ASP . 11.7 tmtt? -51.36 -53.14 39.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.422 178.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.548 ' N ' ' HD3' ' A' ' 79' ' ' LYS . 0.7 OUTLIER -78.21 -39.34 40.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.125 -174.795 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -63.9 -34.72 78.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.189 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.489 ' HZ ' ' HB ' ' A' ' 16' ' ' VAL . 50.2 t80 -62.01 -40.91 97.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.548 -179.435 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.523 HD21 ' HA ' ' A' ' 48' ' ' ASP . 84.8 mt -65.05 -38.05 89.56 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.738 178.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -70.87 -38.35 73.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.628 176.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.562 HD13 HG21 ' A' ' 102' ' ' ILE . 6.2 tt -56.59 -51.98 66.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.147 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.5 t -58.42 -46.03 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.875 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.516 ' O ' HG23 ' A' ' 91' ' ' VAL . 48.6 tp -64.98 -47.73 76.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 -179.244 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.415 ' HA ' ' CG2' ' A' ' 91' ' ' VAL . 17.1 mm-40 -63.13 -27.58 69.48 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -176.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.7 t -67.61 -18.87 65.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.627 0.251 . . . . 0.0 110.6 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -110.48 -34.74 6.23 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.516 HG23 ' O ' ' A' ' 87' ' ' LEU . 28.0 m -82.84 -23.91 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.52 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 58.85 45.29 15.58 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 172.022 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -118.85 70.3 0.82 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 122.503 1.144 . . . . 0.0 110.995 173.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.498 HG13 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -129.01 164.57 31.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 114.532 -1.213 . . . . 0.0 108.744 172.784 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -89.04 -71.21 0.61 Allowed 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.465 -177.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -159.98 -71.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.799 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.708 ' HB2' ' HZ2' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -69.67 -28.86 66.22 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -170.022 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -59.69 -49.71 76.67 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -175.603 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.498 ' HB2' HG13 ' A' ' 94' ' ' ILE . 73.0 t80 -61.69 -40.89 96.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.031 0.444 . . . . 0.0 110.289 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -67.36 -48.44 67.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.141 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -61.14 -47.49 85.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.156 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.562 HG21 HD13 ' A' ' 85' ' ' LEU . 60.4 mt -58.2 -48.94 83.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.217 178.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.53 HG22 ' HB3' ' A' ' 21' ' ' ALA . 37.4 m -59.8 -46.43 89.24 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.129 0.49 . . . . 0.0 110.478 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -64.74 -46.24 83.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.155 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.4 t -57.56 -47.53 81.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.341 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 102' ' ' ILE . 74.3 t -59.61 -49.81 82.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.645 177.624 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 95.4 mt -57.97 -47.77 81.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.978 178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -55.11 -51.43 66.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.019 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.426 ' O ' HG22 ' A' ' 113' ' ' VAL . 75.4 m -61.09 -44.15 97.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.816 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.409 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 93.9 mt -62.04 -38.59 89.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.731 0.3 . . . . 0.0 111.255 178.904 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -66.11 -36.76 84.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.347 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.66 -49.13 69.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.611 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.444 ' O ' HG13 ' A' ' 117' ' ' ILE . 62.3 t -61.81 -45.6 98.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.991 -179.17 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.424 ' HG3' HD12 ' A' ' 7' ' ' LEU . 83.3 tttt -55.81 -48.38 75.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.084 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -68.26 -43.3 78.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.987 -175.142 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -59.07 -43.09 91.74 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.975 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 113' ' ' VAL . 87.4 mt -60.49 -50.74 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-O 120.921 0.391 . . . . 0.0 110.422 176.489 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.581 ' O ' ' HB2' ' A' ' 122' ' ' SER . . . -69.3 -17.44 63.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.581 -179.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -84.43 -19.42 33.48 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.294 0.568 . . . . 0.0 109.836 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -87.26 -51.83 5.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.424 174.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -140.3 129.07 23.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.142 177.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.581 ' HB2' ' O ' ' A' ' 118' ' ' ALA . 17.3 t -148.55 -166.17 2.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.976 0.417 . . . . 0.0 110.636 -175.564 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.285 -179.944 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.6 mtt . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 121.014 0.435 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 55.9 mt -89.02 -47.61 8.0 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.546 -173.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 m 70.32 3.27 4.37 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.818 0.698 . . . . 0.0 110.393 -172.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.492 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 64.4 mm-40 -87.62 109.45 19.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.572 179.41 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -60.57 -43.79 96.92 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.473 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.8 tp -77.98 -20.11 53.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.415 -174.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.492 ' HB2' ' HB3' ' A' ' 4' ' ' GLN . 0.3 OUTLIER -71.39 -49.08 45.57 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -176.818 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -65.32 -28.61 69.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.658 0.266 . . . . 0.0 110.956 -178.536 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 83.7 mtp -61.15 -47.16 87.48 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 173.077 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.525 ' O ' HG13 ' A' ' 14' ' ' ILE . 31.0 m -63.88 -49.74 71.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.404 177.549 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -52.58 -39.6 61.74 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.415 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.454 ' O ' HG23 ' A' ' 16' ' ' VAL . 58.3 tp60 -61.17 -45.24 95.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.812 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' MET . . . . . 0.438 ' SD ' HD21 ' A' ' 110' ' ' LEU . 48.2 ttm -68.93 -36.25 77.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.425 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.525 HG13 ' O ' ' A' ' 10' ' ' THR . 67.2 mt -63.77 -42.83 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.116 177.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.462 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 38.6 tt0 -58.34 -41.69 85.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.883 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 12' ' ' GLN . 48.0 t -65.37 -40.53 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.3 . . . . 0.0 110.704 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.65 -49.36 73.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.527 177.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -59.69 -44.54 93.6 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.197 176.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.462 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 15.2 ttmm -58.85 -44.74 91.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.436 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.39 -42.91 80.7 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.302 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.49 -43.3 99.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.718 0.295 . . . . 0.0 110.998 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.85 -40.78 97.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.983 0.421 . . . . 0.0 110.319 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.6 tpp180 -65.02 -41.01 95.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.434 178.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -66.36 -41.39 89.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.412 178.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -68.36 -43.03 78.29 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.661 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.76 -50.97 71.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.579 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.97 96.97 0.62 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.899 -0.667 . . . . 0.0 113.289 174.128 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -108.53 103.28 12.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.231 0.539 . . . . 0.0 110.686 176.558 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -117.66 16.48 14.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.849 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.2 m -146.97 161.46 40.75 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.239 178.15 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.3 t30 69.17 112.96 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.895 0.747 . . . . 0.0 110.658 -177.351 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -70.63 82.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.15 -176.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.1 m -122.89 10.09 9.49 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.59 0.709 . . . . 0.0 109.923 174.732 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -135.22 142.88 46.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.464 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.478 ' HB3' ' H ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -175.68 -102.64 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.326 0.391 . . . . 0.0 110.705 179.154 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.527 ' HA ' HD13 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -167.09 167.39 14.51 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.765 -0.198 . . . . 0.0 110.662 -178.527 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 68.85 -67.6 0.21 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 172.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -57.37 -54.94 41.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.636 0.255 . . . . 0.0 111.574 -173.779 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.404 HG23 HG13 ' A' ' 40' ' ' ILE . 5.0 t -89.61 -31.23 17.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.022 0.439 . . . . 0.0 110.534 176.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.527 HD13 ' HA ' ' A' ' 36' ' ' PHE . 42.0 mt -90.76 73.4 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.267 0.556 . . . . 0.0 110.004 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.59 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 21.6 ttpp -164.49 -58.14 0.01 OUTLIER Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.222 178.355 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.59 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 13.6 Cg_exo -68.88 -43.84 3.2 Favored 'Trans proline' 0 C--N 1.357 1.022 0 C-N-CA 121.333 1.355 . . . . 0.0 111.151 178.903 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.08 -30.6 71.57 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.995 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.96 -50.51 74.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.405 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -56.96 -46.52 82.08 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.93 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 17.7 mm-40 -59.25 -56.25 24.57 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.446 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -67.91 -36.39 80.11 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -173.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.61 -52.91 63.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.905 0.383 . . . . 0.0 110.765 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -74.79 -27.17 60.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.878 -179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 16.2 tp -61.46 -49.49 76.59 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 174.673 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.436 ' HA ' ' HE2' ' A' ' 13' ' ' MET . . . -62.6 -40.63 97.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.703 177.63 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.7 -46.17 89.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.911 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -70.58 -37.7 73.96 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.347 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -66.56 -43.0 86.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.131 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.81 -46.66 87.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.275 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -57.97 -48.32 80.33 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.897 177.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.67 -41.73 99.78 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.165 -0.541 . . . . 0.0 112.459 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.27 -45.59 83.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.591 0.234 . . . . 0.0 110.908 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 72.3 mt -61.01 -40.46 93.64 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.991 0.424 . . . . 0.0 110.7 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -60.7 -47.62 85.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.018 176.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.4 -50.49 71.34 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.842 -177.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 41.9 pt -68.74 -22.1 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.713 0.292 . . . . 0.0 111.77 -176.335 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.455 ' HE2' ' HB3' ' A' ' 63' ' ' LYS . 3.9 tmmm? -79.62 -43.37 22.99 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 99.5 t -73.14 -51.92 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.484 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -91.35 -88.32 0.19 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.303 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 32.7 ptt180 175.69 155.59 0.37 Allowed Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.818 -174.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 4.6 Cg_exo -81.2 107.86 1.93 Allowed 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.725 2.283 . . . . 0.0 110.388 169.163 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.679 ' HB3' ' HG2' ' A' ' 116' ' ' GLU . 10.9 tmtt? -87.79 -38.19 15.95 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -175.122 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.597 ' HB2' ' HB1' ' A' ' 112' ' ' ALA . 66.9 m-85 -129.86 -54.21 1.14 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.305 0.574 . . . . 0.0 110.136 174.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.49 HG21 HG21 ' A' ' 109' ' ' THR . 9.5 p -66.78 146.87 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.945 -173.482 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -105.47 155.25 19.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.334 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.53 -38.84 88.89 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -178.258 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.1 -42.92 91.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.4 178.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.533 ' O ' HG23 ' A' ' 78' ' ' VAL . 51.7 mt-30 -58.09 -44.73 87.77 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.132 -178.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.56 -40.37 78.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.38 -175.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -75.89 -37.9 58.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.16 0.505 . . . . 0.0 110.266 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.25 -36.57 81.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.468 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.533 HG23 ' O ' ' A' ' 74' ' ' GLN . 53.3 t -60.75 -40.77 86.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.105 -178.547 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -58.36 -49.33 77.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.036 0.446 . . . . 0.0 110.217 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -59.93 -50.71 72.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.997 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.521 ' HB3' HG22 ' A' ' 102' ' ' ILE . 29.1 m-80 -67.1 -40.11 86.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.966 -176.396 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.425 ' HZ ' ' HB ' ' A' ' 16' ' ' VAL . 55.2 t80 -66.95 -42.54 85.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.642 -177.134 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 66.4 mt -63.21 -43.13 98.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.65 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -61.8 -39.22 90.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.368 175.604 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.551 HD11 HG23 ' A' ' 102' ' ' ILE . 7.8 tt -59.94 -53.28 59.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.136 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.9 t -61.27 -45.07 99.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.993 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.88 -45.17 93.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.218 0.533 . . . . 0.0 111.22 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -92.0 6.93 44.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.396 -175.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.1 t -70.95 -38.45 72.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.045 0.45 . . . . 0.0 110.257 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -83.55 -54.85 4.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.632 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.4 m -74.01 -24.62 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -175.437 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 31.8 m170 57.3 58.65 3.76 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.203 0.525 . . . . 0.0 111.277 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -71.72 -19.67 62.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.016 176.633 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 11.6 pt -126.98 98.11 4.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.322 175.051 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -109.14 71.3 0.77 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.666 0.746 . . . . 0.0 110.36 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.595 ' HG3' ' H ' ' A' ' 97' ' ' LYS . 13.0 tptm -166.73 -161.85 0.47 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.203 -177.572 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.595 ' H ' ' HG3' ' A' ' 96' ' ' LYS . 98.8 mttt -59.47 -29.04 67.53 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -177.584 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -53.02 -47.52 68.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.256 -177.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -66.23 -40.47 90.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.171 -179.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 50.1 mtpt -64.72 -48.93 72.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.652 -179.425 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -60.62 -41.8 95.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.82 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.551 HG23 HD11 ' A' ' 85' ' ' LEU . 64.2 mt -58.26 -49.71 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.326 174.423 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 33.8 m -57.39 -45.23 84.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.536 177.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -58.29 -49.22 77.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.996 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 44.1 m -60.31 -42.47 95.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.154 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.419 HG22 ' O ' ' A' ' 102' ' ' ILE . 91.0 t -67.17 -52.05 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.49 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.7 mt -58.73 -44.6 90.51 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.492 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -58.21 -48.65 79.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.686 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.49 HG21 HG21 ' A' ' 70' ' ' VAL . 28.0 m -64.68 -43.73 92.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.97 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.438 HD21 ' SD ' ' A' ' 13' ' ' MET . 92.3 mt -62.03 -43.95 97.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.115 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -65.33 -34.9 79.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 0.0 110.45 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.597 ' HB1' ' HB2' ' A' ' 69' ' ' TYR . . . -67.21 -50.69 59.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.154 -179.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.556 ' O ' HG13 ' A' ' 117' ' ' ILE . 64.4 t -67.35 -38.58 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.353 -177.097 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.484 ' HE3' HD12 ' A' ' 7' ' ' LEU . 87.3 tttt -56.51 -43.54 79.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.681 177.722 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -69.1 -35.08 76.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.437 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.679 ' HG2' ' HB3' ' A' ' 68' ' ' LYS . 51.2 mt-10 -66.86 -38.04 85.59 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.053 178.87 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.556 HG13 ' O ' ' A' ' 113' ' ' VAL . 78.6 mt -60.21 -50.23 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.713 178.18 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.82 -9.51 58.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.469 -178.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.23 -55.32 4.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.588 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -91.09 -64.36 1.14 Allowed 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.774 -170.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -98.11 72.42 2.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.221 0.534 . . . . 0.0 110.21 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.7 p -75.06 -37.31 61.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.81 -174.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 120.786 0.327 . . . . 0.0 110.66 -177.957 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.222 0 CA-C-O 120.553 0.216 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 pp -70.01 142.65 52.74 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.52 ' HB2' HD22 ' A' ' 7' ' ' LEU . 13.5 m -111.03 93.75 4.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.945 0.403 . . . . 0.0 111.423 -176.348 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 64.37 -172.26 0.18 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.016 175.559 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 m -86.56 -39.67 15.96 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.191 -174.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.1 tp -61.37 -23.31 65.68 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.538 -175.298 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . 0.52 HD22 ' HB2' ' A' ' 3' ' ' SER . 32.9 tp -63.41 -47.57 81.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.762 -179.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -52.33 -42.48 63.89 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.098 0.475 . . . . 0.0 111.389 -178.078 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.8 mtp -59.64 -45.97 90.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.812 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.43 ' O ' HG13 ' A' ' 14' ' ' ILE . 24.4 m -71.25 -38.1 71.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 21.7 mm-40 -56.57 -44.03 80.58 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.718 178.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.512 ' O ' HG23 ' A' ' 16' ' ' VAL . 60.1 tp60 -65.21 -44.24 88.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.261 177.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 74.5 mmm -54.68 -44.17 73.12 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.43 HG13 ' O ' ' A' ' 10' ' ' THR . 77.6 mt -59.62 -51.94 66.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.362 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.538 ' HG2' ' HD3' ' A' ' 19' ' ' LYS . 21.9 tt0 -66.21 -34.99 79.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.29 -176.238 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.512 HG23 ' O ' ' A' ' 12' ' ' GLN . 76.9 t -59.3 -46.29 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.674 0.273 . . . . 0.0 110.957 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.77 76.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.63 -35.84 80.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.839 177.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.538 ' HD3' ' HG2' ' A' ' 15' ' ' GLU . 1.2 tptm -64.12 -47.55 79.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.572 177.404 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.04 -43.71 99.1 Favored Glycine 0 C--N 1.333 0.37 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.148 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.404 ' O ' ' HB2' ' A' ' 25' ' ' GLN . . . -59.48 -46.64 88.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.714 0.293 . . . . 0.0 110.575 176.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -58.75 -48.24 81.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.209 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -58.84 -43.38 90.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.877 -175.493 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -75.04 -41.42 59.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.956 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.404 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -63.38 -41.57 98.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.097 0.475 . . . . 0.0 109.771 -178.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.421 ' HG2' ' HB2' ' A' ' 28' ' ' LYS . 45.6 tt0 -65.76 -61.3 2.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.536 179.303 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.41 52.84 17.88 Favored Glycine 0 C--N 1.338 0.653 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.466 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.421 ' HB2' ' HG2' ' A' ' 26' ' ' GLU . 19.8 tptm -107.71 18.49 21.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.151 0.501 . . . . 0.0 110.602 -174.001 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -124.82 131.56 53.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.093 0.473 . . . . 0.0 111.103 -177.468 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.1 m -146.13 6.37 1.0 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.963 175.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -122.25 58.18 1.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.277 -176.126 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -167.27 143.66 4.33 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.424 ' O ' ' HB2' ' A' ' 34' ' ' TYR . 2.7 m -66.43 -26.26 67.14 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -173.097 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.424 ' HB2' ' O ' ' A' ' 33' ' ' SER . 82.0 m-85 67.81 -76.07 0.06 Allowed 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.356 0.41 . . . . 0.0 110.283 -174.224 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.62 ' HB3' ' HB2' ' A' ' 38' ' ' GLU . 25.8 t70 69.75 143.93 0.05 Allowed 'General case' 0 C--O 1.234 0.265 0 C-N-CA 124.139 0.976 . . . . 0.0 112.136 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.509 ' HA ' HD11 ' A' ' 40' ' ' ILE . 92.2 t80 -69.03 -43.19 75.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.417 -177.083 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -81.54 -24.72 36.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.717 0.294 . . . . 0.0 110.702 -173.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . 0.62 ' HB2' ' HB3' ' A' ' 35' ' ' ASP . 0.5 OUTLIER -79.68 -57.68 3.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.381 -175.841 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.8 t -111.19 -10.51 14.29 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -171.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.509 HD11 ' HA ' ' A' ' 36' ' ' PHE . 59.6 mt -102.61 -61.11 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.13 -177.126 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.533 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 42.6 tttm -47.36 -54.69 20.01 Favored Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -176.042 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.533 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 52.7 Cg_exo -56.12 -40.03 87.48 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.096 1.864 . . . . 0.0 113.205 -175.687 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.31 -41.0 70.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.747 0.308 . . . . 0.0 110.638 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.409 HG22 ' O ' ' A' ' 40' ' ' ILE . 98.5 t -60.09 -43.26 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.455 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 47.5 mt-10 -54.99 -50.93 67.78 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.964 0.412 . . . . 0.0 111.051 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -61.89 -51.31 68.67 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.264 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -61.53 -39.01 89.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.17 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.504 ' HA ' HD21 ' A' ' 83' ' ' LEU . 25.9 t70 -59.62 -44.4 93.45 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.961 0.41 . . . . 0.0 110.816 178.51 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -63.46 -49.42 73.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.056 175.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.2 mp -57.64 -52.97 63.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.525 -178.187 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.71 -35.07 72.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.382 -177.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.4 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . . . -68.25 -57.38 6.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.142 -179.097 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . 0.403 ' HD3' ' O ' ' A' ' 53' ' ' ARG . 0.0 OUTLIER -71.15 -31.35 67.59 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.58 -175.713 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -64.14 -42.85 96.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 110.26 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.68 -43.88 97.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.447 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.69 -34.06 77.02 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.976 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.8 -43.7 65.62 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.1 -0.572 . . . . 0.0 111.779 175.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.19 98.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.973 0.416 . . . . 0.0 110.459 177.135 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.646 HD21 HD11 ' A' ' 62' ' ' ILE . 48.9 mt -60.05 -35.71 75.72 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.004 176.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -61.94 -45.38 93.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.819 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.86 -44.66 76.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.56 -178.617 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.646 HD11 HD21 ' A' ' 59' ' ' LEU . 40.6 pt -76.13 -6.69 9.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.097 0.475 . . . . 0.0 110.891 -179.38 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -81.77 -40.69 22.27 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 172.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.4 t -73.96 -50.54 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.09 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -114.45 -161.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.175 0.512 . . . . 0.0 111.375 -177.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -80.96 160.27 66.55 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.153 174.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.16 -52.78 8.1 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.724 2.283 . . . . 0.0 112.584 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.463 ' HG2' ' CD ' ' A' ' 116' ' ' GLU . 23.4 tptm 64.55 107.03 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.762 0.664 . . . . 0.0 111.58 177.215 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.526 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 34.6 m-85 68.89 -68.42 0.18 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.627 -177.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.524 HG21 HG22 ' A' ' 109' ' ' THR . 13.5 p -92.36 158.87 2.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.367 -174.131 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . 0.411 ' N ' HG23 ' A' ' 70' ' ' VAL . 64.4 m80 -122.25 163.78 19.03 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 176.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -62.74 -34.65 77.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.322 . . . . 0.0 110.946 -176.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -59.23 -38.38 79.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.259 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 15.2 mm100 -71.6 -45.52 61.9 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.805 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.8 mt -59.13 -42.73 87.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -178.566 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -68.72 -32.95 73.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.935 0.398 . . . . 0.0 110.875 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.15 -46.51 67.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.18 176.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.432 HG13 HG21 ' A' ' 106' ' ' VAL . 70.4 t -60.98 -35.39 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.066 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.4 ' HE3' ' HA ' ' A' ' 52' ' ' ALA . 81.8 tttt -55.47 -46.01 76.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.015 0.436 . . . . 0.0 110.813 178.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -77.47 -42.89 34.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.596 178.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.516 ' HB3' HG21 ' A' ' 102' ' ' ILE . 94.6 m-20 -65.88 -26.95 67.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.0 -175.48 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -65.49 -47.81 74.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.177 0.513 . . . . 0.0 109.723 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.504 HD21 ' HA ' ' A' ' 48' ' ' ASP . 98.3 mt -69.08 -37.12 78.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.104 178.246 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.542 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 15.7 tp10 -57.86 -47.92 81.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.344 174.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.1 tt -55.44 -50.46 69.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 61.8 t -62.53 -46.07 97.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.945 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 42.5 tp -69.0 -44.47 72.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.507 -177.163 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.564 ' HG3' HD12 ' A' ' 94' ' ' ILE . 3.1 pt20 -64.7 -26.76 68.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.0 -175.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.0 t -65.54 -34.16 77.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.329 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -92.77 -37.42 12.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.994 -178.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.517 HG22 ' HA ' ' A' ' 88' ' ' GLN . 34.4 m -79.02 -19.3 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.069 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 39.6 m80 68.33 27.81 6.42 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.016 0.746 . . . . 0.0 113.016 171.145 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -89.44 39.87 0.96 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.984 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.564 HD12 ' HG3' ' A' ' 88' ' ' GLN . 24.4 pt -142.97 177.03 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.988 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -134.91 -72.99 0.47 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.949 174.171 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -149.55 -57.33 0.19 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.279 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.501 ' H ' ' HD2' ' A' ' 97' ' ' LYS . 8.5 mptt -51.83 -54.1 32.82 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.896 -173.501 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -63.01 -49.83 73.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 -177.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.48 -43.73 89.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.028 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -44.76 83.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.269 -178.445 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -65.31 -45.02 86.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.823 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.516 HG21 ' HB3' ' A' ' 81' ' ' ASN . 74.4 mt -60.43 -50.95 78.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.715 178.536 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 54.0 m -58.02 -44.06 87.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.111 0.481 . . . . 0.0 110.501 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.94 -51.71 67.0 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.187 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.0 m -60.0 -39.43 85.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.056 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.479 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 74.9 t -66.99 -52.02 48.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.637 0.256 . . . . 0.0 110.71 178.435 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.493 HD11 HD11 ' A' ' 110' ' ' LEU . 4.2 mm? -63.18 -38.67 92.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.292 -178.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -62.38 -40.63 97.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 110.201 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.524 HG22 HG21 ' A' ' 70' ' ' VAL . 93.9 m -65.68 -42.48 91.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.526 176.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.493 HD11 HD11 ' A' ' 107' ' ' LEU . 97.2 mt -59.63 -44.47 93.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.42 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -58.63 -40.28 82.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 178.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.526 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . . . -64.77 -46.35 82.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.234 -177.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.508 ' O ' HG13 ' A' ' 117' ' ' ILE . 58.4 t -72.92 -39.94 59.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.188 0.518 . . . . 0.0 110.206 -178.129 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.499 ' HE3' HD12 ' A' ' 7' ' ' LEU . 1.3 tmtp? -60.9 -37.99 84.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.773 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -60.84 -47.95 84.02 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.785 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.463 ' CD ' ' HG2' ' A' ' 68' ' ' LYS . 26.6 mm-40 -64.33 -38.19 90.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.529 -179.247 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.508 HG13 ' O ' ' A' ' 113' ' ' VAL . 70.9 mt -59.55 -45.52 93.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.279 0.562 . . . . 0.0 110.236 178.367 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -82.18 -6.64 59.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.107 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 32.5 ttm-85 -93.28 -20.95 19.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.663 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.25 -44.13 69.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.864 176.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -96.72 176.22 6.08 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 175.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.4 m -107.5 -28.05 10.03 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 120.728 0.299 . . . . 0.0 110.596 -178.318 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 38.5 ttt180 . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.817 -174.578 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 ptt? . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 121.246 0.546 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -102.41 132.73 48.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.751 174.153 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 m -77.38 83.04 3.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.399 0.618 . . . . 0.0 110.392 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -92.81 89.1 6.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.699 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.0 p -94.15 -78.42 0.44 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.606 176.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.7 tp -66.73 -23.49 66.11 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.509 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.9 tp -65.33 -51.23 62.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.141 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -57.82 -42.53 84.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.995 0.426 . . . . 0.0 110.48 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 82.5 mtp -58.15 -51.22 70.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.774 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.545 ' O ' HG13 ' A' ' 14' ' ' ILE . 19.5 m -63.49 -49.59 73.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.584 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -55.15 -43.42 74.19 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.3 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.508 ' O ' HG23 ' A' ' 16' ' ' VAL . 57.7 tp60 -62.26 -46.8 87.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.497 177.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 92.6 mtp -64.85 -34.82 79.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.346 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.603 HG12 ' HB3' ' A' ' 110' ' ' LEU . 67.2 mt -63.15 -43.65 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.199 176.465 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -64.4 -39.22 93.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.601 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 12' ' ' GLN . 95.9 t -61.69 -40.79 88.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.593 176.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.7 -45.23 87.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.99 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -56.16 -48.99 75.25 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.66 175.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -66.86 -35.28 79.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.296 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.21 -48.91 83.15 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.103 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.512 ' HB3' HG22 ' A' ' 103' ' ' THR . . . -64.25 -42.4 96.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.965 0.412 . . . . 0.0 110.406 177.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -56.78 -43.82 81.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.875 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.48 -40.5 80.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.374 -176.354 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.442 ' CE2' ' HA ' ' A' ' 96' ' ' LYS . 55.2 t80 -75.36 -37.96 60.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.626 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -66.41 -36.19 82.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.204 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -66.15 -43.69 86.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.357 0.598 . . . . 0.0 109.61 172.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.82 -66.69 0.53 Allowed Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.192 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -159.31 139.49 12.02 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.8 t-20 -128.98 67.76 1.41 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.72 0.771 . . . . 0.0 109.419 176.303 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.2 m -159.37 98.15 1.39 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.849 -1.069 . . . . 0.0 108.681 177.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 63.3 t30 -87.75 70.57 9.63 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.225 0.536 . . . . 0.0 110.685 -175.655 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.3 t-80 177.45 136.61 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.077 177.433 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.0 m -58.93 137.77 57.71 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.819 0.342 . . . . 0.0 110.314 175.414 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -130.72 148.2 52.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.559 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -109.13 -68.08 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.981 178.417 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -168.37 174.57 6.89 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.8 t80 70.36 -163.52 0.16 Allowed 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 123.54 0.525 . . . . 0.0 109.952 177.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 64.94 -78.86 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 123.912 0.885 . . . . 0.0 110.683 -174.722 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.1 t -115.24 -23.69 8.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.826 0.346 . . . . 0.0 110.156 177.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.507 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 4.5 mp -83.42 71.86 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-O 121.041 0.448 . . . . 0.0 110.159 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.507 ' HB2' ' O ' ' A' ' 40' ' ' ILE . 25.1 ttpp 170.59 -60.79 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 114.625 -1.17 . . . . 0.0 109.282 172.523 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.461 ' CD ' ' HB3' ' A' ' 41' ' ' LYS . 21.5 Cg_endo -59.93 -46.09 21.17 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 122.015 1.81 . . . . 0.0 112.117 -178.259 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.38 -35.46 79.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.405 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.8 t -66.96 -45.93 86.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.792 177.236 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -62.59 -42.85 99.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.323 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -56.92 -55.83 29.5 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.092 0.473 . . . . 0.0 110.916 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.453 ' HB3' ' HE2' ' A' ' 82' ' ' PHE . 92.3 m-20 -67.36 -24.83 65.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.072 -177.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.543 ' HA ' HD13 ' A' ' 83' ' ' LEU . 19.3 t70 -64.67 -49.68 70.02 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 174.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.79 -41.33 97.95 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.042 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.13 -53.2 61.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.491 -179.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.13 -38.75 82.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.352 -177.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.24 99.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.897 0.38 . . . . 0.0 110.932 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -34.33 62.7 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.861 178.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -65.28 -44.34 88.32 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 176.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.94 -44.92 87.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.457 177.24 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -60.93 -39.56 89.91 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.767 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.414 ' O ' ' HB3' ' A' ' 60' ' ' GLU . . . -67.84 -43.23 84.25 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.105 177.507 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.418 ' O ' HG23 ' A' ' 62' ' ' ILE . . . -65.0 -45.54 85.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.818 0.342 . . . . 0.0 110.657 177.875 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.541 HD22 HD12 ' A' ' 62' ' ' ILE . 53.5 mt -59.32 -33.61 71.33 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.178 0.513 . . . . 0.0 110.756 177.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.471 ' O ' HG22 ' A' ' 64' ' ' VAL . 31.7 tp10 -63.19 -53.96 45.07 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.252 175.106 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.68 -41.13 98.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.045 -176.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.567 HG21 ' HG2' ' A' ' 67' ' ' PRO . 42.4 pt -68.11 -29.16 43.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -174.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.47 ' HE3' ' HA ' ' A' ' 60' ' ' GLU . 21.7 pttp -82.13 -26.28 33.65 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 119.651 -0.819 . . . . 0.0 110.573 178.708 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.471 HG22 ' O ' ' A' ' 60' ' ' GLU . 61.8 t -80.69 -47.4 20.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.019 178.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -137.56 167.0 22.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.506 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.428 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 98.4 mtt180 -92.14 115.48 64.76 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.09 176.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.567 ' HG2' HG21 ' A' ' 62' ' ' ILE . 3.4 Cg_exo -75.02 7.63 2.79 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.407 2.738 . . . . 0.0 112.71 -176.421 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.6 mttp 69.87 -70.46 0.14 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.448 172.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . 0.532 ' HB2' ' HB2' ' A' ' 112' ' ' ALA . 2.8 m-85 -77.83 -56.68 4.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.067 0.46 . . . . 0.0 111.653 -171.451 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.426 HG23 HG23 ' A' ' 109' ' ' THR . 12.7 p -81.27 147.46 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.704 -171.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -112.05 159.57 18.35 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -67.44 -29.04 68.41 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.566 -173.046 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -64.4 -38.6 91.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.11 0.481 . . . . 0.0 110.359 176.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.417 ' O ' HG23 ' A' ' 78' ' ' VAL . 15.5 mm-40 -62.36 -43.58 98.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.575 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.418 HD13 ' HB2' ' A' ' 58' ' ' ALA . 63.0 mt -61.86 -41.35 90.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.801 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.401 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . 5.9 mm-40 -68.54 -37.01 79.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.14 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.81 -45.87 73.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.592 177.558 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.417 HG23 ' O ' ' A' ' 74' ' ' GLN . 73.7 t -61.6 -35.58 68.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.209 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -52.64 -53.43 47.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.013 0.435 . . . . 0.0 111.34 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -75.13 -37.77 61.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -64.24 -31.71 73.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.14 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.453 ' HE2' ' HB3' ' A' ' 47' ' ' ASN . 79.8 t80 -64.85 -54.35 32.4 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.543 HD13 ' HA ' ' A' ' 48' ' ' ASP . 4.5 mm? -58.34 -42.5 86.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.594 177.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -56.9 -51.44 69.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.12 177.225 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.492 ' HA ' HE21 ' A' ' 88' ' ' GLN . 7.0 tt -57.06 -48.73 77.83 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.585 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.439 HG23 ' O ' ' A' ' 82' ' ' PHE . 76.3 t -57.97 -45.65 87.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.264 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.1 tp -69.09 -44.98 71.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.002 0.43 . . . . 0.0 111.415 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.492 HE21 ' HA ' ' A' ' 85' ' ' LEU . 24.9 pt20 -83.08 2.59 34.45 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -173.276 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.6 p -67.81 -27.99 67.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -90.4 -46.42 8.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.392 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . 0.46 HG23 ' HA ' ' A' ' 88' ' ' GLN . 30.4 m -91.06 -33.22 5.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -171.238 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.8 m170 59.05 88.4 0.07 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 122.793 0.437 . . . . 0.0 111.012 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -112.8 8.05 18.67 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.284 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.499 HD11 ' HB2' ' A' ' 99' ' ' PHE . 2.0 pp -115.69 -177.53 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.796 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -99.43 145.53 27.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.892 175.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.442 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 22.2 ptmt -54.99 -33.13 62.3 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -173.262 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -67.96 -37.26 81.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.665 0.269 . . . . 0.0 111.453 -179.304 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.55 ' NE ' ' HA ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -78.91 -31.76 45.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.525 -175.876 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.499 ' HB2' HD11 ' A' ' 94' ' ' ILE . 37.8 t80 -62.43 -34.04 75.98 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.096 0.474 . . . . 0.0 110.117 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -51.05 71.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.246 176.799 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -59.76 -42.32 92.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.164 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.474 HG13 ' O ' ' A' ' 98' ' ' ARG . 79.4 mt -57.82 -51.76 66.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.16 177.423 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.512 HG22 ' HB3' ' A' ' 21' ' ' ALA . 29.3 m -58.28 -47.57 83.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.687 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.3 mm-40 -60.03 -41.54 92.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.881 -179.621 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.3 m -68.13 -40.54 82.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.813 0.339 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 102' ' ' ILE . 95.9 t -66.69 -50.33 66.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.291 177.617 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 55.8 mt -59.17 -45.24 91.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.465 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -56.15 -42.18 76.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.15 0.5 . . . . 0.0 110.295 -179.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.426 HG23 HG23 ' A' ' 70' ' ' VAL . 86.6 m -70.07 -46.08 65.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.969 178.737 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.603 ' HB3' HG12 ' A' ' 14' ' ' ILE . 95.4 mt -60.55 -41.95 95.56 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.196 -179.302 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -63.65 -36.67 84.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.101 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . 0.532 ' HB2' ' HB2' ' A' ' 69' ' ' TYR . . . -67.09 -47.68 70.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.398 -178.863 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 81.9 t -62.9 -43.96 99.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.022 0.439 . . . . 0.0 110.099 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.447 ' HD2' ' C ' ' A' ' 114' ' ' LYS . 0.6 OUTLIER -54.31 -45.11 72.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.189 176.197 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -69.0 -42.05 76.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.554 -172.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -61.91 -41.21 97.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.867 0.365 . . . . 0.0 110.742 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 75.1 mt -62.3 -45.14 99.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 120.988 0.423 . . . . 0.0 110.65 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.42 -20.43 61.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.684 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -78.08 -26.95 48.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.905 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -82.92 -47.51 11.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.843 174.349 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 35.4 t70 63.07 28.64 16.19 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.627 0.727 . . . . 0.0 110.771 177.358 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.5 m -125.63 -81.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.886 -0.509 . . . . 0.0 111.429 -177.446 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.458 ' HA ' ' NE ' ' A' ' 123' ' ' ARG . 5.7 mmp_? . . . . . 0 N--CA 1.465 0.298 0 CA-C-O 121.262 0.553 . . . . 0.0 110.978 -173.454 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptp . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.584 0.231 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.9 mt -101.63 -45.23 5.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.751 0.31 . . . . 0.0 110.655 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 p 50.21 74.61 0.21 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.585 0.754 . . . . 0.0 111.896 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -71.33 -60.74 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.478 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.4 m -157.2 -71.19 0.1 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.868 0.366 . . . . 0.0 111.21 177.572 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.3 tp -64.54 -21.36 66.67 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.529 -174.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -67.74 -42.82 81.25 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -179.285 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.74 -43.16 98.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.424 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 68.0 mtp -56.53 -43.57 79.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.883 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.476 ' O ' HG13 ' A' ' 14' ' ' ILE . 22.8 m -71.01 -50.86 29.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.804 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -55.52 -36.4 66.69 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.46 ' O ' HG21 ' A' ' 16' ' ' VAL . 49.9 tt0 -61.31 -51.34 69.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 110.173 175.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 48.8 ttm -60.7 -38.99 86.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.825 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.57 HG12 ' HB3' ' A' ' 110' ' ' LEU . 67.1 mt -62.91 -49.32 84.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.684 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . 0.454 ' HG2' ' HE2' ' A' ' 19' ' ' LYS . 33.8 tt0 -65.52 -39.42 91.8 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.811 -177.151 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.46 HG21 ' O ' ' A' ' 12' ' ' GLN . 81.2 t -62.22 -42.45 95.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.446 0.165 . . . . 0.0 110.802 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.07 89.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.905 0.383 . . . . 0.0 110.627 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.65 -46.39 90.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.243 177.675 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.454 ' HE2' ' HG2' ' A' ' 15' ' ' GLU . 51.7 mtmt -68.64 -30.63 69.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.196 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.05 -45.04 63.99 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.087 -0.577 . . . . 0.0 111.786 177.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.492 ' HB1' HG21 ' A' ' 103' ' ' THR . . . -68.22 -38.44 81.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.87 0.367 . . . . 0.0 110.326 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.16 -41.14 87.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.367 175.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -59.47 -46.89 87.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.615 176.544 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -64.71 -36.74 85.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.471 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.36 -53.33 50.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.397 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.53 -47.14 86.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.097 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.5 -57.22 0.76 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.766 175.016 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . 0.43 ' HB2' ' HZ2' ' A' ' 28' ' ' LYS . 1.0 OUTLIER 58.38 82.34 0.14 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.693 0.758 . . . . 0.0 110.766 -176.105 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -81.04 125.22 29.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.037 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.9 t -171.23 -146.12 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 -173.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -57.05 -31.85 65.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.37 176.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 66.14 18.28 10.94 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.119 173.212 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 p -108.09 154.38 21.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.614 -176.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -144.1 -48.05 0.27 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 58.33 31.34 20.76 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 114.673 -1.149 . . . . 0.0 113.729 166.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.439 ' HA ' HD11 ' A' ' 40' ' ' ILE . 98.1 m-85 69.18 11.05 8.12 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 164.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -152.91 87.01 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 119.403 -0.919 . . . . 0.0 112.443 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -177.94 -76.08 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.8 -1.091 . . . . 0.0 108.794 172.438 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.6 p -92.81 -19.76 21.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.16 173.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.439 HD11 ' HA ' ' A' ' 36' ' ' PHE . 16.4 mt -84.96 50.64 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 CA-C-O 121.583 0.706 . . . . 0.0 110.694 -178.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.597 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 29.3 tptp -144.92 -56.28 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.767 173.589 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.597 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 7.9 Cg_exo -72.24 -37.87 4.18 Favored 'Trans proline' 0 C--N 1.359 1.125 0 C-N-CA 121.553 1.502 . . . . 0.0 111.948 -178.573 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.66 -43.14 66.59 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.394 -176.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.1 t -57.84 -50.67 76.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.036 -176.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -64.42 -45.53 87.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.432 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 6.1 tm-20 -54.46 -59.03 5.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.364 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -63.64 -36.42 83.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.724 -175.606 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.61 -49.88 67.11 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.785 0.326 . . . . 0.0 110.647 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -62.15 -41.64 98.47 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.296 0.569 . . . . 0.0 110.321 176.411 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . 0.432 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 6.0 tp -59.62 -53.59 56.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.854 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.456 ' HB2' ' HG2' ' A' ' 79' ' ' LYS . . . -60.62 -38.31 84.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.465 -177.039 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.76 -53.73 53.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.851 0.358 . . . . 0.0 110.643 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.65 -33.52 75.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.117 -178.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -66.86 -45.78 77.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.221 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.61 -46.99 88.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.439 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -60.4 -36.1 77.31 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.269 178.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.72 -47.74 31.9 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.33 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.55 -47.17 85.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.813 0.34 . . . . 0.0 111.043 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.479 HD21 HD12 ' A' ' 62' ' ' ILE . 51.6 mt -61.37 -36.23 79.65 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.202 179.299 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.584 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 32.4 tp10 -56.93 -51.57 68.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.874 176.764 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.403 HD11 ' HA ' ' A' ' 123' ' ' ARG . 4.4 mm? -66.94 -39.93 87.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -175.676 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . 0.596 HG21 ' HB3' ' A' ' 67' ' ' PRO . 40.3 pt -73.16 -22.92 19.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.343 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.584 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -83.16 -23.31 32.98 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.17 174.847 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 60' ' ' GLU . 88.1 t -78.81 -60.39 2.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.707 175.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -109.71 168.82 9.13 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -78.54 118.12 70.46 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.596 ' HB3' HG21 ' A' ' 62' ' ' ILE . 60.6 Cg_endo -72.97 158.22 50.07 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.875 2.383 . . . . 0.0 112.577 -177.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . 0.499 ' HD2' ' N ' ' A' ' 68' ' ' LYS . 5.5 mptt -111.34 119.82 40.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.324 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 72.39 -49.05 0.69 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.637 0.775 . . . . 0.0 111.977 177.538 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.477 HG22 HG21 ' A' ' 113' ' ' VAL . 7.6 p -69.92 141.94 16.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.21 0.528 . . . . 0.0 111.089 -178.476 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -127.19 162.43 26.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.101 -0.704 . . . . 0.0 109.101 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.71 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -64.48 -39.07 93.11 Favored 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.099 -176.57 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -56.26 -34.38 66.34 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.28 0.562 . . . . 0.0 110.329 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . 0.433 ' O ' HG23 ' A' ' 78' ' ' VAL . 73.8 mm-40 -68.43 -47.86 66.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.397 -179.082 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.33 -39.46 85.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.265 -177.668 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . 0.71 ' HG2' ' O ' ' A' ' 72' ' ' LYS . 61.5 mm-40 -60.87 -42.48 97.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.455 -177.571 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.18 -46.96 38.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.398 -177.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.514 HG12 HG11 ' A' ' 106' ' ' VAL . 55.2 t -54.46 -37.87 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.769 -176.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.456 ' HG2' ' HB2' ' A' ' 51' ' ' ALA . 13.7 tmtt? -56.33 -54.15 48.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.426 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . 0.418 ' N ' ' HD3' ' A' ' 79' ' ' LYS . 4.3 m-20 -78.02 -35.3 50.01 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.303 -176.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . 0.445 ' HB3' HG22 ' A' ' 102' ' ' ILE . 6.4 m-20 -56.05 -43.09 77.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.475 175.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -59.54 -46.3 89.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.87 -48.14 72.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.221 -177.03 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.51 -32.53 73.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.756 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.568 HD11 HG23 ' A' ' 102' ' ' ILE . 5.7 tt -58.49 -51.47 69.75 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.021 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 65.6 t -59.31 -45.23 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.405 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.3 tp -59.94 -53.9 52.46 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.441 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . 0.403 HE21 ' HB3' ' A' ' 88' ' ' GLN . 2.7 pt20 -67.25 -19.44 65.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.523 -175.351 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.4 m -64.66 -40.59 95.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 110.713 176.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -84.41 -48.32 9.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.314 -176.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.9 m -75.46 -17.53 15.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.534 -176.623 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 36.3 m80 62.72 33.51 15.43 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.259 0.552 . . . . 0.0 110.849 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -92.81 46.43 1.23 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.806 0.813 . . . . 0.0 109.695 -178.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.727 HG12 ' HB2' ' A' ' 99' ' ' PHE . 10.1 tp -143.5 152.24 16.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.263 -177.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -84.92 -93.4 0.08 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.908 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -143.99 -80.64 0.19 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.828 0.347 . . . . 0.0 111.702 -177.597 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.421 ' HE3' ' HB2' ' A' ' 97' ' ' LYS . 37.9 ttmt -61.65 -39.13 90.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.28 -171.275 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.492 ' O ' HG13 ' A' ' 102' ' ' ILE . 50.8 mtm180 -65.1 -26.86 68.4 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.022 -177.518 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . 0.727 ' HB2' HG12 ' A' ' 94' ' ' ILE . 76.2 t80 -68.9 -49.7 55.9 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.295 0.569 . . . . 0.0 109.609 176.402 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.504 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 63.5 tttp -62.28 -44.74 95.84 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.219 179.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -56.82 -43.5 81.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.486 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.568 HG23 HD11 ' A' ' 85' ' ' LEU . 71.3 mt -60.43 -42.77 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.199 175.272 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' THR . . . . . 0.492 HG21 ' HB1' ' A' ' 21' ' ' ALA . 23.1 m -62.04 -47.42 84.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.232 0.539 . . . . 0.0 110.469 177.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.504 ' HG2' ' O ' ' A' ' 100' ' ' LYS . 33.3 mm-40 -60.75 -49.49 77.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.491 -177.515 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.8 p -61.1 -39.53 90.33 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.765 0.317 . . . . 0.0 111.34 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.514 HG11 HG12 ' A' ' 78' ' ' VAL . 77.4 t -65.13 -56.57 14.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.439 176.584 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 48.1 mt -56.83 -42.2 79.2 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.917 -178.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -57.45 -50.66 72.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.519 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.474 ' HB ' HG22 ' A' ' 78' ' ' VAL . 25.2 m -70.54 -38.98 74.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.216 -178.219 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.57 ' HB3' HG12 ' A' ' 14' ' ' ILE . 71.1 mt -56.38 -43.16 78.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.724 0.297 . . . . 0.0 111.137 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -65.0 -35.73 82.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.153 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.2 -37.02 75.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.997 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.477 HG21 HG22 ' A' ' 70' ' ' VAL . 48.3 t -77.48 -46.63 27.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.229 -178.618 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -56.75 -38.34 72.3 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.583 -178.063 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.02 -46.97 82.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.837 -178.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -67.15 -40.01 86.63 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.491 0.186 . . . . 0.0 111.411 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 113' ' ' VAL . 80.6 mt -57.34 -46.55 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.037 0.446 . . . . 0.0 110.474 178.034 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.18 -27.74 61.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.785 178.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -66.11 -53.58 36.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.205 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -71.04 -64.47 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.461 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -178.89 -55.14 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.046 176.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 25.8 p -174.72 -69.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.397 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.403 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.928 -179.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.801 0.334 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 80.2 mt -144.53 84.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.646 176.056 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.473 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 37.2 t -125.36 144.18 50.62 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.605 -176.349 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . 0.567 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 67.6 mt-30 -90.06 24.41 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.425 -178.74 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.7 p -66.05 -58.79 4.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.124 0.488 . . . . 0.0 109.814 173.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.506 ' HA ' ' HE1' ' A' ' 9' ' ' MET . 43.5 tp -163.95 4.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.356 174.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.1 tp -77.63 -53.02 8.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.62 -171.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLU . . . . . 0.567 ' HG2' ' HG2' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -64.58 -39.22 93.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 111.805 -175.931 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' MET . . . . . 0.506 ' HE1' ' HA ' ' A' ' 6' ' ' LEU . 62.7 mtm -59.62 -39.55 84.63 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.634 176.055 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.515 ' O ' HG13 ' A' ' 14' ' ' ILE . 58.4 m -68.22 -45.53 73.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.286 175.586 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -55.0 -47.4 74.69 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.448 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . 0.432 ' O ' HG22 ' A' ' 16' ' ' VAL . 53.0 tt0 -64.55 -41.61 96.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.377 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 48.3 ttm -63.11 -40.84 98.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.806 179.41 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.515 HG13 ' O ' ' A' ' 10' ' ' THR . 74.9 mt -60.97 -46.38 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.078 0.466 . . . . 0.0 110.425 177.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.3 -46.15 88.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.774 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.432 HG22 ' O ' ' A' ' 12' ' ' GLN . 92.6 t -61.66 -42.62 94.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.172 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.48 -48.87 73.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.835 0.35 . . . . 0.0 110.709 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.51 -47.62 83.53 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.47 178.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -75.76 -24.68 56.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.5 -177.699 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.54 -44.96 95.81 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 172.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.476 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -63.89 -43.76 95.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.975 0.417 . . . . 0.0 110.28 175.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -61.5 -37.44 83.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.177 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -68.73 -39.37 80.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.971 0.415 . . . . 0.0 110.18 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.503 ' HE1' ' HB3' ' A' ' 92' ' ' HIS . 45.5 t80 -64.39 -37.32 87.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.671 175.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.476 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 27.4 mt-30 -65.47 -33.82 76.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.248 176.709 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -65.82 -39.52 90.94 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.056 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.69 70.54 1.19 Allowed Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 -178.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -82.2 74.7 9.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.726 0.298 . . . . 0.0 111.257 -173.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 71.59 147.16 0.08 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.636 174.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.9 t -109.17 -3.86 16.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.479 0.657 . . . . 0.0 109.745 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -76.34 111.18 11.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.046 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -82.44 76.38 9.31 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 p -103.23 3.69 35.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.324 0.583 . . . . 0.0 110.248 175.087 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -106.09 84.2 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -86.1 80.98 8.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -169.283 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . 0.554 ' HA ' HD11 ' A' ' 40' ' ' ILE . 1.1 t80 57.31 24.28 9.81 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 162.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -150.79 -39.3 0.13 Allowed 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.723 -0.61 . . . . 0.0 111.736 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.75 -60.34 3.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.942 0.401 . . . . 0.0 111.664 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.9 t -102.24 -22.73 14.11 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.107 0.48 . . . . 0.0 110.51 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.554 HD11 ' HA ' ' A' ' 36' ' ' PHE . 37.1 mt -93.28 80.42 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.357 -177.278 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.531 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 28.2 ttpp -168.27 -64.94 0.01 OUTLIER Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.41 177.719 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.531 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 44.4 Cg_endo -67.18 -45.62 3.71 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.768 1.645 . . . . 0.0 112.984 -173.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.64 -38.66 85.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.83 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 42.6 t -62.25 -48.46 88.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.742 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -61.77 -44.73 96.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.327 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.16 -52.3 66.13 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.017 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . 0.444 ' N ' HD21 ' A' ' 47' ' ' ASN . 0.9 OUTLIER -66.99 -32.85 74.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.372 -176.372 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -55.31 -56.3 21.68 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.943 177.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -72.91 -31.32 64.57 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.279 178.727 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.1 tp -57.24 -51.52 69.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.148 0.499 . . . . 0.0 110.162 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.778 ' HB3' ' HG3' ' A' ' 79' ' ' LYS . . . -68.57 -36.36 78.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.445 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.86 -49.66 69.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.735 0.302 . . . . 0.0 110.859 178.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.81 -44.8 90.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.45 178.06 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -60.25 -49.65 76.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.69 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.87 -41.68 92.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.119 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.02 -46.92 86.99 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 120.968 0.413 . . . . 0.0 110.995 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.489 ' HA3' HD13 ' A' ' 6' ' ' LEU . . . -69.36 -36.14 77.65 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.266 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.18 -40.75 86.61 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.803 0.335 . . . . 0.0 111.092 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 52.5 mt -63.72 -36.02 82.49 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.109 0.481 . . . . 0.0 110.546 176.693 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -63.79 -45.36 90.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.137 172.554 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.39 -48.21 82.73 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.245 -177.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 38.2 pt -73.09 -8.78 12.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -175.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -82.09 -48.14 11.72 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 176.199 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.2 t -85.22 -44.23 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.326 -176.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.526 ' HD3' ' OE2' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -101.53 141.4 34.46 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.63 -175.011 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -68.23 119.64 69.08 Favored Pre-proline 0 C--O 1.235 0.324 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.617 172.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -74.23 107.76 2.51 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 123.057 2.505 . . . . 0.0 111.036 176.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -110.16 -36.79 5.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.656 -174.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -102.02 -39.02 7.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.397 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 12.3 p -92.41 158.93 2.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.624 174.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -136.19 158.76 43.65 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -57.77 -49.15 77.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.13 -177.696 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.21 -39.22 75.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.074 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -63.17 -34.68 78.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.908 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.1 mm -62.81 -44.63 99.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.897 0.379 . . . . 0.0 111.108 -177.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -70.66 -41.34 72.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.063 0.459 . . . . 0.0 109.868 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.06 -45.15 93.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.623 -178.535 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.477 HG11 HG11 ' A' ' 106' ' ' VAL . 76.8 t -68.58 -41.0 82.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 121.168 -0.213 . . . . 0.0 111.424 -177.298 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . 0.778 ' HG3' ' HB3' ' A' ' 51' ' ' ALA . 86.6 tttt -57.41 -44.3 84.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.232 0.539 . . . . 0.0 110.19 177.461 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.52 -51.36 51.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.017 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -65.08 -28.9 69.77 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.666 -177.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . 0.402 ' O ' HG23 ' A' ' 86' ' ' VAL . 58.6 t80 -65.47 -50.89 63.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.885 0.374 . . . . 0.0 110.087 177.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.65 -35.09 79.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.459 177.371 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -60.34 -50.16 74.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.18 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.03 -48.53 73.29 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.485 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.402 HG23 ' O ' ' A' ' 82' ' ' PHE . 58.5 t -59.43 -45.27 93.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.906 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.4 tp -65.09 -48.06 75.03 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.009 0.433 . . . . 0.0 111.035 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -71.74 -15.78 62.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -69.7 -33.55 72.68 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -76.05 -53.39 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.26 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.2 m -85.37 -33.83 8.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.602 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' HIS . . . . . 0.503 ' HB3' ' HE1' ' A' ' 24' ' ' TYR . 18.2 p80 37.05 81.48 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.264 1.025 . . . . 0.0 113.601 -177.759 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -102.07 -0.33 33.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.146 0.498 . . . . 0.0 110.232 173.182 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 34.7 pt -91.12 158.03 2.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 173.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -83.05 -69.7 0.61 Allowed 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.27 -177.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -164.85 -43.57 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.336 -172.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -61.65 -43.37 98.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.105 -172.592 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -64.77 -34.42 78.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.622 0.249 . . . . 0.0 111.237 -179.095 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -64.5 -37.07 86.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.141 -174.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -62.2 -52.16 64.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.316 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -57.91 -45.57 86.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.315 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 77.2 mt -57.13 -50.32 76.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.307 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.2 m -58.42 -45.44 88.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.428 178.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -60.32 -50.31 74.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.579 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.2 t -62.3 -42.75 99.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.142 -176.541 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.595 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 98.0 t -66.73 -56.95 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.651 179.312 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.85 -45.37 82.45 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.88 -177.358 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -57.35 -45.88 83.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.81 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.441 ' HB ' HG21 ' A' ' 78' ' ' VAL . 25.8 m -69.59 -37.9 77.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.595 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 83.3 mt -58.49 -44.55 89.43 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.674 0.273 . . . . 0.0 110.472 177.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -64.99 -34.35 78.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.685 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.47 -41.91 92.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.412 ' O ' HG13 ' A' ' 117' ' ' ILE . 55.2 t -72.06 -47.98 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.126 0.489 . . . . 0.0 109.84 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' LYS . . . . . 0.43 ' HD3' ' C ' ' A' ' 114' ' ' LYS . 1.3 tmtp? -59.33 -42.91 92.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.375 -178.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -63.53 -47.59 80.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.273 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 21.4 mt-10 -61.57 -45.73 92.88 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 121.221 -0.192 . . . . 0.0 110.924 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ILE . . . . . 0.412 HG13 ' O ' ' A' ' 113' ' ' VAL . 84.1 mt -57.44 -50.33 77.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.957 0.408 . . . . 0.0 110.92 177.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . 0.888 ' HA ' ' HB3' ' A' ' 122' ' ' SER . . . -73.43 -11.76 60.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.574 -177.593 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -92.85 -53.04 4.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.188 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.526 ' OE2' ' HD3' ' A' ' 65' ' ' ARG . 5.2 mm-40 -64.99 -52.97 53.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.741 -176.479 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -173.8 103.9 0.12 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.996 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.888 ' HB3' ' HA ' ' A' ' 118' ' ' ALA . 7.3 p -96.12 -54.55 3.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.308 -176.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 . . . . . 0 N--CA 1.467 0.402 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.373 176.592 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.0 tp . . . . . 0 CA--C 1.531 0.212 0 CA-C-O 121.045 0.45 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.646 HD21 ' HG2' ' A' ' 114' ' ' LYS . 1.7 tm? -72.45 -47.92 45.08 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.59 -39.58 88.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.59 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 77.1 mtp -57.59 -44.03 85.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.425 175.721 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.449 ' O ' HG13 ' A' ' 14' ' ' ILE . 30.9 m -66.21 -49.39 67.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.618 178.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -52.99 -41.15 64.33 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 111.443 175.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.413 ' O ' HG23 ' A' ' 16' ' ' VAL . 52.7 tp60 -63.2 -46.17 88.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.687 177.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 90.1 mtp -63.11 -34.36 77.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.973 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 10' ' ' THR . 83.8 mt -61.98 -42.55 95.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.489 176.147 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -66.6 -43.07 85.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.634 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.565 ' HB ' ' HZ ' ' A' ' 82' ' ' PHE . 58.5 t -61.41 -42.4 93.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.561 0.219 . . . . 0.0 110.624 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.69 -51.38 70.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.792 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -65.48 -32.94 74.82 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.723 178.11 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -63.63 -45.68 89.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.583 0.23 . . . . 0.0 110.701 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.24 -41.08 96.99 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.845 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.421 ' HA ' ' HE2' ' A' ' 99' ' ' PHE . . . -65.39 -42.12 92.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.384 . . . . 0.0 110.586 177.5 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -66.16 -38.95 89.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.597 177.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -57.52 -47.47 81.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.433 -179.636 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -75.46 -33.7 60.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.949 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.305 -178.275 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.499 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 28.5 tptp . . . . . 0 CA--C 1.537 0.468 0 CA-C-O 119.818 -0.134 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.616 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 44.0 Cg_endo -69.41 -34.52 15.56 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.84 1.693 . . . . 0.0 112.278 177.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.29 -38.98 74.79 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.484 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.4 t -63.65 -45.91 96.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.425 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -60.94 -45.08 96.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.481 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.616 ' HG2' ' O ' ' A' ' 42' ' ' PRO . 5.6 mm-40 -55.62 -57.2 12.97 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -63.03 -39.0 93.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.56 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.32 -50.14 74.67 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.823 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.83 -40.51 88.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.151 176.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.8 tp -58.19 -53.78 54.46 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.926 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.673 ' HB1' ' HG2' ' A' ' 79' ' ' LYS . . . -62.16 -42.02 98.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.966 -178.145 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.73 99.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.994 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -71.79 -42.61 66.9 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.769 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 81.2 t90 -62.19 -47.62 83.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.773 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.47 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.77 -45.84 85.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.987 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.26 -44.35 60.02 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.734 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.99 99.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.721 0.296 . . . . 0.0 111.036 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.1 mt -61.15 -36.41 79.73 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.935 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -67.35 -46.85 72.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.924 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.62 -46.58 88.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.828 -177.148 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.804 ' HB ' ' HD3' ' A' ' 67' ' ' PRO . 40.5 pt -71.64 -17.61 19.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 111.19 -178.004 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -81.13 -40.73 23.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 175.157 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 77.3 t -68.49 -52.38 37.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.903 0.383 . . . . 0.0 110.319 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.507 ' HA ' ' HE ' ' A' ' 65' ' ' ARG . 0.3 OUTLIER -87.27 -106.14 0.07 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.774 178.682 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.735 ' HA ' ' HE ' ' A' ' 66' ' ' ARG . 0.1 OUTLIER 172.91 123.69 0.08 OUTLIER Pre-proline 0 C--N 1.332 -0.191 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.215 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.804 ' HD3' ' HB ' ' A' ' 62' ' ' ILE . 24.7 Cg_endo -63.37 103.05 0.35 Allowed 'Trans proline' 0 C--O 1.238 0.486 0 C-N-CA 122.326 2.018 . . . . 0.0 111.91 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -93.23 -53.26 4.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.792 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -96.89 -37.96 10.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.466 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.6 p -79.31 152.29 4.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.024 0.44 . . . . 0.0 110.524 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -107.67 132.37 53.4 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -58.15 -48.94 78.72 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.594 0.235 . . . . 0.0 111.261 -174.329 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -52.54 -37.52 57.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.877 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -67.45 -37.41 82.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.13 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.463 HD12 HD13 ' A' ' 62' ' ' ILE . 71.4 mt -63.28 -45.31 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.116 0.484 . . . . 0.0 109.941 176.015 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -66.75 -34.93 78.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.426 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.76 -46.82 43.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.406 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 82' ' ' PHE . 40.7 t -57.97 -40.39 76.36 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.336 0 CA-C-N 116.827 -0.17 . . . . 0.0 111.381 -178.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.673 ' HG2' ' HB1' ' A' ' 51' ' ' ALA . 13.3 tmtt? -53.99 -49.06 69.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.322 0.582 . . . . 0.0 110.912 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -76.43 -45.91 29.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.441 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -64.21 -31.64 72.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.19 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.565 ' HZ ' ' HB ' ' A' ' 16' ' ' VAL . 44.1 t80 -64.56 -39.09 93.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.797 0.332 . . . . 0.0 110.347 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 65.4 mt -64.78 -42.96 94.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.643 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.38 -30.48 67.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.829 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.457 HD12 HG22 ' A' ' 102' ' ' ILE . 6.6 tt -60.31 -53.16 60.94 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 177.317 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.4 t -59.04 -43.07 88.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.456 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.511 ' O ' HG22 ' A' ' 91' ' ' VAL . 58.1 tp -58.9 -58.85 6.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.873 179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.435 ' HB3' ' HB ' ' A' ' 94' ' ' ILE . 2.5 mp0 -62.75 -27.37 69.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.026 -176.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.4 t -61.72 -44.16 97.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.936 0.398 . . . . 0.0 110.932 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -90.43 -37.95 13.6 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -175.568 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 87' ' ' LEU . 21.2 m -81.29 -16.09 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.568 -177.461 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 57.3 m170 65.26 26.56 12.21 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 122.797 0.439 . . . . 0.0 111.543 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.473 ' H ' HG23 ' A' ' 91' ' ' VAL . 77.0 t60 -76.26 -12.74 60.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.172 0.511 . . . . 0.0 110.362 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.76 HG12 ' HB2' ' A' ' 99' ' ' PHE . 10.1 tp -84.49 151.39 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.675 178.103 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -87.28 -76.96 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.135 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -153.76 -76.07 0.12 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.992 0.425 . . . . 0.0 112.047 -176.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -64.35 -36.75 85.14 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -167.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -68.64 -29.65 68.19 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.607 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.76 ' HB2' HG12 ' A' ' 94' ' ' ILE . 47.7 t80 -66.77 -46.79 74.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.159 0.504 . . . . 0.0 110.21 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -73.2 -29.01 62.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.204 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -68.12 -48.94 64.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.253 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.471 ' O ' HG23 ' A' ' 106' ' ' VAL . 80.6 mt -59.86 -46.72 93.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.219 176.501 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 38.4 m -57.97 -44.62 87.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 110.584 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -61.53 -45.13 95.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.585 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.7 m -63.47 -38.91 92.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.625 0.25 . . . . 0.0 111.081 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 102' ' ' ILE . 72.3 t -65.29 -52.03 57.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.415 177.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 88.7 mt -57.37 -43.94 83.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.948 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -54.97 -54.32 44.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.982 175.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.504 ' O ' HG23 ' A' ' 113' ' ' VAL . 46.7 m -63.13 -44.87 94.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.408 -177.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.445 HD22 HG23 ' A' ' 10' ' ' THR . 86.8 mt -61.01 -38.62 86.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.247 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -64.8 -37.0 86.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.833 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.7 -40.73 76.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.523 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.544 ' O ' HG13 ' A' ' 117' ' ' ILE . 61.9 t -68.33 -43.16 84.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.195 0.522 . . . . 0.0 109.616 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.646 ' HG2' HD21 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -54.42 -40.29 68.14 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.55 179.569 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 119' ' ' ARG . 22.3 t70 -65.38 -51.82 57.79 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.85 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -69.9 -26.79 64.33 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -174.48 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 113' ' ' VAL . 75.2 mt -63.13 -50.7 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.133 0.492 . . . . 0.0 110.004 172.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.47 -18.76 60.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.503 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 115' ' ' ASP . 13.2 ttt85 -72.13 -31.15 65.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.27 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 . . . . . 0 C--N 1.324 -0.514 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 171.548 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.6 tp . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.609 0.719 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -45.23 70.24 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.011 -176.326 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -57.05 -50.49 72.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.975 0.416 . . . . 0.0 110.364 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 57.4 mtp -59.13 -34.96 72.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.123 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.501 ' O ' HG13 ' A' ' 14' ' ' ILE . 30.8 m -72.96 -49.07 31.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.27 176.669 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -54.54 -42.13 70.56 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.625 177.398 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.411 ' O ' HG23 ' A' ' 16' ' ' VAL . 7.0 tm0? -63.17 -44.96 93.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.857 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.461 ' SD ' HD21 ' A' ' 110' ' ' LEU . 50.9 ttm -61.77 -39.3 91.18 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.628 177.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 10' ' ' THR . 66.1 mt -63.68 -43.82 98.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 120.94 0.4 . . . . 0.0 110.594 176.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.23 -46.01 91.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.009 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 12' ' ' GLN . 70.5 t -62.84 -41.86 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.724 178.626 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.51 -52.03 66.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.863 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -55.55 -54.99 37.1 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.443 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.58 ' HA ' ' HB3' ' A' ' 22' ' ' ASP . 2.3 mptp? -70.64 -20.58 62.71 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -174.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.42 -48.44 44.64 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.239 -0.981 . . . . 0.0 111.213 174.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.404 ' HA ' ' HE1' ' A' ' 99' ' ' PHE . . . -67.63 -35.33 78.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.106 0.479 . . . . 0.0 109.918 175.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.58 ' HB3' ' HA ' ' A' ' 19' ' ' LYS . 23.3 t70 -58.0 -46.9 84.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.602 175.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -70.21 -35.0 73.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.517 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -66.73 -35.93 81.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.146 0.498 . . . . 0.0 109.946 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.097 176.417 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.468 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 25.6 ttpp . . . . . 0 CA--C 1.543 0.693 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.468 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 57.8 Cg_endo -72.01 -16.31 28.99 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.884 1.723 . . . . 0.0 112.885 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.35 -34.43 68.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.008 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.2 t -63.52 -36.26 75.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.391 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -65.84 -48.63 71.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.636 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -54.86 -59.74 4.31 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.835 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -59.79 -36.09 75.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.004 -175.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.536 ' HA ' HD21 ' A' ' 83' ' ' LEU . 30.2 t70 -64.87 -52.16 58.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.505 0.193 . . . . 0.0 110.775 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -61.87 -39.16 90.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.061 0.458 . . . . 0.0 110.767 176.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 tp -59.28 -53.24 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.488 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.37 -38.17 90.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.071 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.519 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . . . -61.39 -54.64 41.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -33.32 74.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.416 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -62.12 -50.62 71.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.493 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.35 -44.5 97.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -60.2 -42.53 95.3 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.13 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.92 -42.36 85.91 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.103 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.25 97.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.782 0.325 . . . . 0.0 110.851 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.452 HD23 HD11 ' A' ' 62' ' ' ILE . 71.5 mt -61.78 -41.18 97.39 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.632 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 10.3 tp10 -60.83 -44.16 97.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.36 0.6 . . . . 0.0 110.501 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.54 -45.64 82.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.586 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.722 ' HB ' ' HD3' ' A' ' 67' ' ' PRO . 44.4 pt -74.91 -20.09 16.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -174.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.632 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -79.9 -28.28 39.85 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.912 176.517 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.4 t -79.62 -49.72 19.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.205 0.526 . . . . 0.0 110.131 173.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.543 ' O ' ' HA ' ' A' ' 62' ' ' ILE . 37.8 mtp85 -126.79 121.06 30.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.794 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 66' ' ' ARG . 48.2 mtt-85 -52.44 139.97 36.73 Favored Pre-proline 0 C--O 1.236 0.346 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.696 -171.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.722 ' HD3' ' HB ' ' A' ' 62' ' ' ILE . 42.3 Cg_endo -68.38 119.37 6.37 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.871 2.381 . . . . 0.0 111.205 174.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -93.78 -64.57 1.07 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.746 -173.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -80.62 -53.15 6.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.013 0.435 . . . . 0.0 110.886 177.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.567 ' O ' ' HB2' ' A' ' 67' ' ' PRO . 14.8 p -78.29 150.97 5.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.246 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -114.77 154.55 28.34 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -64.85 -33.59 76.36 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -54.42 -44.14 72.13 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.09 174.485 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.406 ' O ' HG23 ' A' ' 78' ' ' VAL . 83.6 mm-40 -67.77 -44.02 78.43 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.771 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.12 -42.56 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.816 0.341 . . . . 0.0 111.11 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -71.1 -33.59 70.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 0.0 110.737 -178.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.41 -43.58 39.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.585 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.424 HG21 HG21 ' A' ' 109' ' ' THR . 50.7 t -62.41 -35.15 68.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 -176.041 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.519 ' HE3' ' HA ' ' A' ' 52' ' ' ALA . 78.0 tttt -57.37 -47.56 81.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.073 0.464 . . . . 0.0 110.11 176.278 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.59 -43.44 84.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.353 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.478 ' O ' ' HB2' ' A' ' 85' ' ' LEU . 91.0 m-20 -62.99 -34.58 77.84 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.262 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.428 ' CE1' ' HG3' ' A' ' 13' ' ' MET . 51.5 t80 -66.99 -50.02 63.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.604 0.24 . . . . 0.0 110.788 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.536 HD21 ' HA ' ' A' ' 48' ' ' ASP . 79.3 mt -63.63 -39.53 94.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.783 0.325 . . . . 0.0 110.389 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 5.8 mm-40 -62.75 -42.86 99.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.718 174.861 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.533 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -57.92 -43.69 86.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.36 -178.841 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 82' ' ' PHE . 88.1 t -57.01 -49.36 79.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.509 177.412 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.526 ' O ' HG22 ' A' ' 91' ' ' VAL . 45.2 tp -67.21 -45.58 76.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.422 -177.758 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.533 ' HG2' ' HA ' ' A' ' 85' ' ' LEU . 20.5 pt20 -67.66 -21.2 65.37 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -175.799 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 67.3 m -71.27 -23.91 62.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.607 0.241 . . . . 0.0 111.164 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -101.33 -57.86 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.425 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 87' ' ' LEU . 33.3 m -76.27 -17.83 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.735 0.302 . . . . 0.0 111.647 -175.531 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 30.7 m170 57.82 43.12 22.24 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.006 175.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -80.53 26.11 0.4 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.129 0.49 . . . . 0.0 111.296 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.468 HG22 ' HB2' ' A' ' 88' ' ' GLN . 18.2 tt -154.81 152.25 9.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -178.696 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -100.58 171.38 7.76 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.839 -175.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -47.76 -54.74 11.36 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.88 -171.118 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -60.87 -43.63 98.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.568 -169.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.423 ' HD2' HH11 ' A' ' 98' ' ' ARG . 27.8 mtp85 -79.06 -31.77 44.58 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.496 -178.385 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.404 ' HE1' ' HA ' ' A' ' 21' ' ' ALA . 49.2 t80 -61.74 -47.84 83.44 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.23 0.538 . . . . 0.0 110.39 178.772 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -65.01 -41.2 95.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.436 -177.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -68.71 -39.04 80.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.993 -177.228 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.475 ' O ' HG23 ' A' ' 106' ' ' VAL . 43.1 mt -61.25 -44.99 99.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.033 174.489 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 28.2 m -57.66 -46.03 84.76 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.414 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -56.19 -49.14 74.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.304 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.5 m -59.16 -41.14 87.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.226 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 102' ' ' ILE . 69.9 t -67.6 -50.0 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.378 178.059 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 67.0 mt -58.77 -43.92 90.49 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.354 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -53.68 -52.34 60.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.972 0.415 . . . . 0.0 110.726 176.369 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.424 HG21 HG21 ' A' ' 78' ' ' VAL . 32.1 m -63.41 -42.58 98.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.31 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.501 HD13 HG12 ' A' ' 14' ' ' ILE . 91.9 mt -61.93 -37.47 84.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.581 -178.021 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 57.9 m170 -64.77 -41.62 95.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.141 0.496 . . . . 0.0 109.887 177.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.57 92.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.592 -177.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.577 ' O ' HG13 ' A' ' 117' ' ' ILE . 99.8 t -69.57 -45.78 77.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.932 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -56.92 -49.03 76.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.515 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.89 -37.5 86.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.976 -177.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.676 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 18.2 mm-40 -63.57 -43.46 96.94 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.819 177.129 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 113' ' ' VAL . 86.7 mt -55.02 -51.89 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 110.875 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.24 -27.51 65.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.018 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -68.73 -51.56 40.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.932 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.676 ' HG2' ' O ' ' A' ' 116' ' ' GLU . 3.3 mm-40 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.69 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.8 tp . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.989 0.423 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.8 tp -57.64 -53.54 56.97 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.489 -177.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -65.02 -36.57 84.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.622 0.249 . . . . 0.0 110.92 -177.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 81.5 mtp -59.55 -43.51 93.53 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.078 0.466 . . . . 0.0 110.556 178.075 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.492 ' O ' HG13 ' A' ' 14' ' ' ILE . 23.9 m -67.57 -47.4 69.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.462 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -56.28 -46.27 79.8 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.199 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.473 ' O ' HG23 ' A' ' 16' ' ' VAL . 64.8 tt0 -63.74 -41.41 98.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 49.9 ttm -62.16 -39.44 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.317 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 10' ' ' THR . 77.2 mt -59.75 -50.94 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.175 175.633 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.02 -46.8 87.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.243 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 12' ' ' GLN . 93.5 t -59.01 -43.46 89.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.787 0.327 . . . . 0.0 110.8 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.7 83.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.766 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.53 -42.42 98.44 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.394 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -68.85 -33.21 73.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.701 0.286 . . . . 0.0 110.906 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.27 -40.44 92.11 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.564 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.498 ' HA ' ' CE2' ' A' ' 99' ' ' PHE . . . -65.26 -41.65 94.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.074 0.464 . . . . 0.0 110.476 176.307 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.5 -38.03 88.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.568 176.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -70.56 -34.21 71.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.935 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -71.18 -35.4 71.58 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 174.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.564 177.089 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.618 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 69.6 tttt . . . . . 0 CA--C 1.538 0.482 0 CA-C-O 119.614 -0.231 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.618 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 2.6 Cg_exo -75.62 -52.25 0.1 Allowed 'Trans proline' 0 C--N 1.358 1.053 0 C-N-CA 121.797 1.665 . . . . 0.0 112.191 -174.777 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.89 -39.95 91.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.181 -178.077 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.3 t -57.03 -46.94 84.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.954 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -71.32 -45.54 62.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.467 -178.374 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -61.69 -52.28 64.95 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.851 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -64.86 -28.11 69.33 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.097 0.248 . . . . 0.0 111.44 -177.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -60.23 -54.03 50.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.739 0.304 . . . . 0.0 110.262 174.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -68.48 -34.76 76.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.509 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.7 tp -58.4 -53.12 61.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.06 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.26 -32.99 73.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.141 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.06 -49.72 73.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.792 0.329 . . . . 0.0 110.781 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -38.18 87.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.459 178.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -63.16 -43.89 97.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.31 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.75 80.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.975 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.31 -42.31 98.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.243 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.13 -42.66 83.59 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.19 178.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 62' ' ' ILE . . . -64.78 -36.37 84.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.578 0.228 . . . . 0.0 110.661 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.545 HD23 HD11 ' A' ' 62' ' ' ILE . 32.9 mt -61.79 -34.19 75.44 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.75 175.524 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 9.7 tp10 -71.09 -43.42 67.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.914 175.384 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.29 -47.29 84.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.637 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.545 HD11 HD23 ' A' ' 59' ' ' LEU . 36.4 pt -73.98 -11.81 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.003 0.43 . . . . 0.0 110.966 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -77.31 -33.99 55.5 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 174.786 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.6 t -88.87 -49.32 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.077 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.87 ' HD2' ' HA ' ' A' ' 120' ' ' GLU . 4.6 mmp_? -81.14 -32.29 33.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.071 -176.553 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 3.3 mpt_? 71.83 137.85 0.05 OUTLIER Pre-proline 0 N--CA 1.465 0.293 0 O-C-N 123.981 0.8 . . . . 0.0 110.341 -170.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 36.9 Cg_exo -60.57 103.98 0.24 Allowed 'Trans proline' 0 CA--C 1.53 0.275 0 C-N-CA 122.944 2.429 . . . . 0.0 112.664 -177.096 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -102.99 -53.91 2.73 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -86.19 -56.97 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.301 0.572 . . . . 0.0 110.151 175.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.448 HG23 HG23 ' A' ' 109' ' ' THR . 10.0 p -84.79 161.06 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.776 -176.045 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.479 ' HB3' ' HG2' ' A' ' 74' ' ' GLN . 73.9 t60 -110.02 141.69 42.48 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -56.3 -44.38 79.8 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 117.949 0.34 . . . . 0.0 111.647 -172.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -55.54 -27.09 46.86 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.622 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.604 ' O ' HG23 ' A' ' 78' ' ' VAL . 72.6 mm-40 -71.06 -45.31 64.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.22 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.468 ' H ' HD12 ' A' ' 75' ' ' ILE . 3.7 mp -55.6 -45.82 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 121.141 0.496 . . . . 0.0 110.573 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -72.56 -28.35 62.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.187 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.59 -34.24 40.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 74' ' ' GLN . 47.4 t -55.59 -42.45 68.76 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.353 -179.108 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.431 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 75.9 tttt -54.94 -52.93 61.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.958 0.409 . . . . 0.0 111.148 -178.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.69 -43.08 66.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.048 -176.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -64.11 -33.94 76.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.267 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -69.05 -43.08 75.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.455 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 79' ' ' LYS . 94.5 mt -62.13 -41.9 98.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.032 0.444 . . . . 0.0 110.262 177.706 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 15.0 tp10 -63.1 -44.73 94.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.092 175.358 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.436 HD11 ' HA ' ' A' ' 103' ' ' THR . 6.8 tt -55.66 -49.82 71.87 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.814 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.1 t -61.37 -43.95 97.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.734 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.61 ' O ' HG22 ' A' ' 91' ' ' VAL . 57.1 tp -64.23 -53.16 53.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -178.216 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 13.7 pt20 -61.91 -26.54 68.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.611 -176.192 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.5 t -65.92 -39.62 90.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.731 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -88.28 -49.36 7.03 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.61 HG22 ' O ' ' A' ' 87' ' ' LEU . 34.5 m -76.5 -21.18 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.655 -175.491 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 33.9 m170 61.81 41.72 11.39 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 122.634 0.374 . . . . 0.0 111.94 176.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.436 ' HD2' HG23 ' A' ' 94' ' ' ILE . 1.6 p-80 -89.1 28.88 1.13 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.316 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.436 HG23 ' HD2' ' A' ' 93' ' ' HIS . 23.3 pt -140.15 -178.31 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.16 0.505 . . . . 0.0 110.824 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -104.03 155.69 18.47 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 170.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -53.5 -42.52 67.43 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -171.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.474 ' NZ ' ' HB2' ' A' ' 97' ' ' LYS . 4.4 ttmp? -61.03 -35.66 77.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.704 0.288 . . . . 0.0 111.656 -177.053 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -64.68 -35.96 82.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.171 0.51 . . . . 0.0 110.506 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.498 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 77.3 t80 -66.76 -43.56 83.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.291 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -63.55 -46.38 86.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.488 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.55 -54.48 45.45 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.117 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.475 ' O ' HG23 ' A' ' 106' ' ' VAL . 67.5 mt -59.68 -47.29 91.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.948 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.436 ' HA ' HD11 ' A' ' 85' ' ' LEU . 41.2 m -60.45 -45.8 92.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 111.037 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -65.93 -43.54 87.77 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.56 -177.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.9 t -58.83 -41.09 86.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.64 177.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 102' ' ' ILE . 95.4 t -69.17 -48.93 66.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.716 178.668 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.42 -41.93 86.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.646 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -60.28 -46.61 89.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.906 0.384 . . . . 0.0 110.222 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.463 ' O ' HG23 ' A' ' 113' ' ' VAL . 55.4 m -60.8 -45.58 93.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.095 179.107 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 96.0 mt -59.71 -41.32 90.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.286 -178.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -68.54 -32.47 72.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.43 -40.69 77.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.906 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 109' ' ' THR . 63.6 t -71.94 -39.75 67.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.138 0.494 . . . . 0.0 110.134 -178.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -60.46 -37.97 82.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.586 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -72.93 -34.68 66.74 Favored 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.434 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -63.11 -40.48 97.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.263 0.554 . . . . 0.0 109.987 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 113' ' ' VAL . 79.8 mt -62.21 -39.82 85.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.32 176.343 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.89 -30.28 67.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.295 0.569 . . . . 0.0 110.259 175.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -80.08 -4.48 52.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.654 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.87 ' HA ' ' HD2' ' A' ' 65' ' ' ARG . 7.9 tp10 . . . . . 0 N--CA 1.466 0.333 0 CA-C-O 121.506 0.67 . . . . 0.0 109.793 169.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.7 tp . . . . . 0 C--O 1.232 0.18 0 CA-C-O 121.463 0.649 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.505 ' HG ' ' HG2' ' A' ' 11' ' ' GLU . 34.3 tp -74.54 -37.0 63.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.223 -175.709 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -59.56 -42.76 93.15 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -172.549 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -62.02 -40.03 94.32 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.282 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.481 ' O ' HG12 ' A' ' 14' ' ' ILE . 41.1 m -63.84 -48.6 76.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.168 176.783 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.505 ' HG2' ' HG ' ' A' ' 7' ' ' LEU . 19.5 mm-40 -57.7 -43.16 84.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.352 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.498 ' O ' HG23 ' A' ' 16' ' ' VAL . 55.2 tp60 -67.39 -40.55 85.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.409 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.604 ' SD ' HD21 ' A' ' 110' ' ' LEU . 47.4 ttm -66.64 -36.94 83.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.243 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 10' ' ' THR . 18.0 mm -55.2 -47.79 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.216 0.531 . . . . 0.0 110.007 173.699 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.573 ' HG2' ' HD3' ' A' ' 19' ' ' LYS . 37.5 tt0 -65.84 -44.95 83.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.171 -177.456 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 12' ' ' GLN . 99.8 t -62.2 -39.66 84.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.533 0.206 . . . . 0.0 110.851 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.59 -54.38 32.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.526 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -57.03 -55.17 38.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.1 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.573 ' HD3' ' HG2' ' A' ' 15' ' ' GLU . 41.9 mtpt -72.48 -28.75 63.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.679 -175.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.97 -48.57 59.77 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.567 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.83 95.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.981 0.42 . . . . 0.0 110.673 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.21 -42.5 96.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.778 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -62.86 -37.75 88.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.463 0.649 . . . . 0.0 110.42 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -71.39 -34.92 70.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.322 177.186 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--O 1.236 0.345 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.34 178.332 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.606 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 64.8 tttp . . . . . 0 CA--C 1.532 0.253 0 CA-C-O 119.378 -0.344 . . . . 0.0 111.319 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.606 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 22.6 Cg_exo -64.07 -50.28 3.08 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.595 1.53 . . . . 0.0 111.636 -177.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.88 -40.55 76.41 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.997 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.95 -47.41 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.009 0.433 . . . . 0.0 110.914 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -69.35 -39.19 78.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.594 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -64.25 -49.05 73.41 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.077 176.789 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -65.42 -36.73 84.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.472 -176.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.67 -57.28 12.11 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.23 0.331 . . . . 0.0 111.273 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 53' ' ' ARG . 39.4 mt-10 -73.09 -27.91 61.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.045 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 13.4 tp -60.09 -53.04 62.44 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 178.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.39 -40.34 89.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.953 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.73 96.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.366 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 4.3 mmm180 -74.61 -34.55 62.84 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.811 0.339 . . . . 0.0 110.964 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.7 t90 -65.87 -49.38 68.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.04 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.01 93.5 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.847 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -55.73 -48.14 75.71 Favored 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 123.212 0.605 . . . . 0.0 111.343 178.336 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.38 -41.94 57.62 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.518 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.67 98.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.719 0.295 . . . . 0.0 111.013 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.507 HD23 HD11 ' A' ' 62' ' ' ILE . 26.7 mt -61.38 -41.78 97.66 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.733 177.694 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.537 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 5.3 tp10 -63.06 -45.4 92.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.352 0.596 . . . . 0.0 109.852 177.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.99 -49.93 75.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.283 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.507 HD11 HD23 ' A' ' 59' ' ' LEU . 34.1 pt -71.13 -24.86 24.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -174.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -82.1 -20.59 37.82 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.654 179.499 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.5 t -95.99 -53.34 8.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.393 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 32.1 ttt85 -91.56 -5.47 53.99 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -173.698 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.584 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 91.3 mtt180 77.28 150.2 0.12 Allowed Pre-proline 0 N--CA 1.471 0.588 0 C-N-CA 123.048 0.539 . . . . 0.0 111.268 -177.345 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 12.2 Cg_exo -71.02 90.36 0.65 Allowed 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.659 2.239 . . . . 0.0 111.387 174.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -82.97 -60.76 2.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 -175.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -94.43 -56.37 2.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.267 0.556 . . . . 0.0 110.395 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.491 HG21 HG23 ' A' ' 109' ' ' THR . 12.6 p -87.43 150.89 3.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.416 -177.149 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -104.18 156.77 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -57.6 -40.29 78.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.932 0.396 . . . . 0.0 110.767 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.05 -29.49 69.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.087 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.471 ' O ' HG23 ' A' ' 78' ' ' VAL . 75.5 mm-40 -68.15 -44.68 75.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.842 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.0 mp -58.81 -44.07 89.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 121.073 0.464 . . . . 0.0 110.23 178.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -70.64 -29.61 66.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.805 -178.545 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.66 -45.74 57.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 177.16 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 74' ' ' GLN . 78.1 t -59.02 -39.76 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.769 -178.194 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -56.87 -46.78 81.6 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.068 0.461 . . . . 0.0 110.372 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -73.92 -46.98 40.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.49 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -56.88 -44.01 81.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.46 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.436 ' O ' HG23 ' A' ' 86' ' ' VAL . 41.5 t80 -61.19 -52.45 64.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -176.345 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 45.7 mt -66.59 -38.92 88.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.303 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 7.4 mm-40 -62.94 -49.54 74.35 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.524 175.342 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.3 tt -52.55 -48.61 66.02 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.408 0.443 . . . . 0.0 110.664 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 82' ' ' PHE . 91.8 t -56.97 -50.09 77.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.99 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.423 ' O ' HG22 ' A' ' 91' ' ' VAL . 43.6 tp -68.3 -42.49 79.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.175 -177.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 95.7 mt-30 -65.29 -27.31 68.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.14 -176.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 61.5 m -69.89 -38.53 76.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.824 0.345 . . . . 0.0 110.731 177.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -73.17 -48.67 33.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.208 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 87' ' ' LEU . 29.6 m -84.15 -2.94 7.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.405 -176.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 34.6 m80 60.74 44.6 10.96 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.823 177.273 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -80.52 -20.39 43.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.439 -178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.0 pp -99.44 -179.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.139 176.441 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.08 -67.15 0.79 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.613 0.244 . . . . 0.0 110.855 177.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -166.88 -57.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.426 -175.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.434 ' HB3' ' HD3' ' A' ' 98' ' ' ARG . 28.2 tptt -54.02 -57.31 11.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.242 -172.177 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.434 ' HD3' ' HB3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -75.56 -29.53 59.38 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.057 -176.084 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -58.89 -43.14 90.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.967 0.413 . . . . 0.0 110.588 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -61.96 -51.75 66.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.78 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -61.78 -43.24 99.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.329 -177.623 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.438 ' O ' HG23 ' A' ' 106' ' ' VAL . 82.8 mt -59.55 -47.12 92.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.534 176.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 37.3 m -60.84 -43.85 97.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.996 0.426 . . . . 0.0 110.285 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -63.38 -37.27 86.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.486 178.086 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 43.7 m -66.16 -40.52 90.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.705 0.288 . . . . 0.0 110.817 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 102' ' ' ILE . 90.7 t -64.06 -50.59 76.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.258 176.411 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.33 -40.11 89.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.262 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -53.68 -49.69 67.47 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.059 0.457 . . . . 0.0 110.658 175.747 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.491 HG23 HG21 ' A' ' 70' ' ' VAL . 89.4 m -62.7 -44.85 95.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.743 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.604 HD21 ' SD ' ' A' ' 13' ' ' MET . 95.5 mt -62.83 -40.41 97.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.495 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -64.27 -37.2 86.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.894 0.378 . . . . 0.0 110.954 178.203 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.4 -48.95 73.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.9 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 41.1 t -68.08 -34.25 65.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.42 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -55.18 -43.66 74.55 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.569 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -63.43 -49.35 74.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.943 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.49 -53.4 54.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 123.486 0.491 . . . . 0.0 111.151 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 75.6 mt -58.21 -49.37 81.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.333 -177.075 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.14 -23.74 59.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.188 -176.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -70.55 -53.09 17.46 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.518 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 . . . . . 0 C--O 1.234 0.28 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.452 176.1 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.4 tp . . . . . 0 C--O 1.233 0.229 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.402 HD11 ' HG2' ' A' ' 114' ' ' LYS . 40.0 tp -77.5 -37.49 50.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.757 -177.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -37.06 76.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.077 0.465 . . . . 0.0 110.744 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.516 ' SD ' ' HD2' ' A' ' 53' ' ' ARG . 44.7 ttp -61.52 -37.1 82.47 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.913 172.475 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.46 ' O ' HG13 ' A' ' 14' ' ' ILE . 62.0 m -66.68 -46.37 75.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.06 175.384 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.44 -36.9 74.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 176.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.459 ' O ' HG23 ' A' ' 16' ' ' VAL . 48.4 tt0 -61.05 -47.97 83.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.497 175.289 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.504 ' SD ' HD21 ' A' ' 110' ' ' LEU . 47.3 ttm -61.25 -39.88 92.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.55 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.474 HG12 HD13 ' A' ' 110' ' ' LEU . 80.8 mt -63.87 -44.11 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.266 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.11 -42.64 95.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.673 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 12' ' ' GLN . 98.0 t -63.56 -44.59 98.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 177.732 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.75 -48.23 77.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.792 0.33 . . . . 0.0 110.885 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -57.15 -53.15 61.35 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.4 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.478 ' HA ' ' HB3' ' A' ' 22' ' ' ASP . 8.0 tptp -69.07 -24.44 64.16 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.211 -177.664 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.53 -44.65 92.58 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.374 174.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.23 -38.5 78.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.313 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.478 ' HB3' ' HA ' ' A' ' 19' ' ' LYS . 14.5 t70 -60.05 -42.99 95.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.778 175.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -62.63 -44.63 95.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.476 178.74 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -65.81 -34.81 79.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.879 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.067 0.461 . . . . 0.0 110.15 179.455 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 25.0 mmtp . . . . . 0 CA--C 1.532 0.286 0 CA-C-O 119.547 -0.264 . . . . 0.0 110.637 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -68.05 -40.14 9.55 Favored 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 121.691 1.594 . . . . 0.0 112.086 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.45 99.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.306 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.5 t -61.69 -41.68 91.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.571 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 44.0 mt-10 -64.42 -50.01 69.26 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.974 0.416 . . . . 0.0 110.71 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -61.35 -59.89 4.58 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.114 -177.435 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -62.41 -26.97 68.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.688 -1.142 . . . . 0.0 112.216 -174.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -66.55 -55.44 15.45 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 176.639 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.8 -33.94 76.24 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 121.163 0.506 . . . . 0.0 110.163 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.417 HD11 ' OE1' ' A' ' 12' ' ' GLN . 10.9 tp -61.56 -52.44 64.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.201 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.499 ' HB3' ' HG3' ' A' ' 79' ' ' LYS . . . -72.39 -25.65 61.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.957 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.06 -54.88 17.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.547 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.516 ' HD2' ' SD ' ' A' ' 9' ' ' MET . 3.9 tmt_? -59.69 -38.41 81.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.103 177.504 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -63.62 -52.6 60.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.604 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.46 -43.96 96.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.242 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -58.43 -39.14 78.97 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 120.631 0.253 . . . . 0.0 110.923 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.17 -48.23 20.49 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.554 178.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.02 96.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.657 0.265 . . . . 0.0 111.167 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.475 HD23 HD11 ' A' ' 62' ' ' ILE . 37.0 mt -64.4 -37.61 88.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.993 177.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -62.41 -40.05 95.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.043 0.449 . . . . 0.0 109.964 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.5 tp -62.03 -48.89 78.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.531 HG22 ' HB3' ' A' ' 67' ' ' PRO . 37.1 pt -78.32 -11.34 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.348 0.594 . . . . 0.0 111.107 -177.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -81.82 -39.62 23.72 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.618 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 90.0 t -87.98 -45.95 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.827 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.9 mtp85 -114.94 -166.33 1.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.321 -177.815 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -104.1 132.49 20.95 Favored Pre-proline 0 C--O 1.236 0.345 0 CA-C-O 120.982 0.42 . . . . 0.0 111.432 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.531 ' HB3' HG22 ' A' ' 62' ' ' ILE . 55.3 Cg_endo -72.06 134.28 23.02 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.493 2.129 . . . . 0.0 111.035 172.329 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -100.66 -34.72 9.75 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.622 -173.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.548 ' HB2' ' HB1' ' A' ' 112' ' ' ALA . 54.9 m-85 -115.16 -46.02 2.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.041 0.448 . . . . 0.0 111.246 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.53 ' O ' ' HB2' ' A' ' 67' ' ' PRO . 7.4 p -93.59 167.15 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.162 -172.437 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.425 ' N ' HG22 ' A' ' 70' ' ' VAL . 75.1 m-70 -121.95 177.9 5.11 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 176.448 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -67.05 -57.76 6.21 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.969 0.414 . . . . 0.0 111.772 -175.626 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -60.73 -34.33 74.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.111 -173.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.609 ' O ' HG23 ' A' ' 78' ' ' VAL . 12.3 mm-40 -55.04 -53.38 56.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.514 HD12 HD13 ' A' ' 62' ' ' ILE . 75.8 mt -59.73 -39.02 78.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.468 -176.549 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.459 ' HG2' HD11 ' A' ' 59' ' ' LEU . 29.3 mt-10 -76.93 -33.92 57.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.861 0.362 . . . . 0.0 110.686 -177.345 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.61 -29.78 61.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.792 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 74' ' ' GLN . 29.7 t -56.64 -42.02 75.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.316 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.499 ' HG3' ' HB3' ' A' ' 51' ' ' ALA . 84.4 tttt -58.52 -49.07 78.72 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.625 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -64.36 -36.25 83.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.33 0.586 . . . . 0.0 110.859 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -75.25 -35.67 61.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.336 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -69.41 -36.3 76.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.394 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 79' ' ' LYS . 96.9 mt -63.89 -41.55 97.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.978 174.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 10.4 tp10 -63.16 -42.1 99.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.242 175.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.0 tt -54.5 -45.42 73.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.58 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.54 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.544 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.494 ' O ' HG22 ' A' ' 91' ' ' VAL . 59.9 tp -64.16 -49.63 71.34 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.39 -177.37 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 12.6 pt20 -65.57 -23.2 66.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.239 -177.754 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.1 t -67.69 -29.42 68.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.932 0.396 . . . . 0.0 109.999 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -95.72 -57.69 2.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.79 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 87' ' ' LEU . 35.5 m -84.39 -15.82 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -173.375 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 25.3 m170 59.41 30.63 20.35 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 174.421 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -82.62 35.15 0.45 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.082 0.468 . . . . 0.0 112.015 -173.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.691 ' HB ' ' HB2' ' A' ' 98' ' ' ARG . 2.1 pp -129.13 13.15 2.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.913 0.387 . . . . 0.0 111.077 -179.076 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 61.51 -76.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.623 -174.619 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -162.14 -54.87 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.687 -176.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -66.66 -41.77 87.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.863 -170.16 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.691 ' HB2' ' HB ' ' A' ' 94' ' ' ILE . 62.8 mtt180 -60.0 -29.39 68.44 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.428 ' HA ' ' NE2' ' A' ' 88' ' ' GLN . 46.3 t80 -59.91 -42.1 93.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.031 0.443 . . . . 0.0 110.167 -179.243 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -67.79 -53.41 27.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.936 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -56.95 -45.91 82.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.693 -174.637 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.418 ' O ' HG23 ' A' ' 106' ' ' VAL . 65.5 mt -63.76 -43.59 98.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.4 m -62.91 -42.78 99.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.068 0.461 . . . . 0.0 110.085 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -60.35 -46.78 88.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.066 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.9 m -57.8 -42.85 85.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 0.0 111.009 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.456 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 94.8 t -69.33 -52.36 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.86 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 110' ' ' LEU . 41.1 mt -60.58 -39.28 87.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.778 -177.802 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -59.58 -42.98 93.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.359 0.599 . . . . 0.0 109.955 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.495 HG21 HG21 ' A' ' 78' ' ' VAL . 30.3 m -70.08 -39.4 75.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.707 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.504 HD21 ' SD ' ' A' ' 13' ' ' MET . 94.1 mt -61.46 -39.76 92.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 178.633 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -56.8 -44.79 82.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.296 0.57 . . . . 0.0 110.34 175.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.548 ' HB1' ' HB2' ' A' ' 69' ' ' TYR . . . -64.3 -49.3 72.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.492 -177.034 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.8 t -71.71 -33.91 50.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.031 0.443 . . . . 0.0 110.396 -174.151 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.402 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -57.88 -47.41 82.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.672 177.625 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.36 -37.96 80.97 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.497 -178.075 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 112' ' ' ALA . 28.3 mm-40 -54.6 -52.76 61.16 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 111.203 177.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 75.1 mt -58.62 -46.04 90.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.139 -177.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.85 -16.25 58.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.526 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -86.39 -39.55 16.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.388 . . . . 0.0 110.503 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.277 -178.773 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.6 tp . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 121.287 0.565 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.73 ' HG ' ' HG2' ' A' ' 11' ' ' GLU . 35.1 tp -70.6 -35.78 73.17 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.671 -175.388 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 9' ' ' MET . 5.9 pt-20 -51.89 -45.92 64.35 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -174.471 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.454 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 3.5 mpp? -63.06 -42.68 99.73 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.844 0.354 . . . . 0.0 110.314 -178.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.535 ' O ' HG13 ' A' ' 14' ' ' ILE . 19.6 m -64.35 -50.88 65.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.987 178.191 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.73 ' HG2' ' HG ' ' A' ' 7' ' ' LEU . 23.8 mm-40 -54.46 -49.63 69.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.513 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.427 ' HB3' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -58.56 -48.97 79.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.401 178.17 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.62 ' SD ' HD21 ' A' ' 110' ' ' LEU . 49.8 ttm -62.68 -36.74 83.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.941 -178.556 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 10' ' ' THR . 78.4 mt -65.13 -51.02 71.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.583 0.23 . . . . 0.0 110.772 178.682 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.82 -37.66 82.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.995 -176.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 12' ' ' GLN . 72.2 t -64.61 -39.19 84.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.256 175.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.44 -49.54 75.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.498 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -58.9 -48.61 80.82 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.395 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -63.23 -40.27 96.98 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.674 0.273 . . . . 0.0 111.11 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.73 -38.25 94.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.215 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.92 -35.23 74.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.717 0.294 . . . . 0.0 110.825 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.751 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 20.7 t70 -75.43 -32.51 60.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.117 0.484 . . . . 0.0 110.461 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.437 ' HD3' ' O ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -64.41 -39.27 93.52 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 172.697 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.794 ' HE2' ' HA ' ' A' ' 96' ' ' LYS . 27.2 t80 -75.12 -32.55 61.41 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.031 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.751 ' HG3' ' O ' ' A' ' 22' ' ' ASP . 5.1 pp0? . . . . . 0 C--O 1.231 0.114 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.536 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.8 mttm . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.41 -40.7 23.38 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 121.702 1.601 . . . . 0.0 111.993 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.6 85.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.736 -177.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.5 t -61.39 -38.89 81.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.686 0.279 . . . . 0.0 111.014 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -70.34 -50.87 34.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.65 0.262 . . . . 0.0 110.95 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -56.03 -55.11 36.8 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.579 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -67.51 -29.19 68.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.144 -174.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.92 -47.58 74.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.782 0.325 . . . . 0.0 110.166 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.49 -40.11 89.09 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.014 0.435 . . . . 0.0 109.907 176.316 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.427 HD21 ' HB3' ' A' ' 12' ' ' GLN . 13.1 tp -55.62 -53.26 58.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.528 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.69 ' HB1' ' HG2' ' A' ' 79' ' ' LYS . . . -62.78 -38.26 89.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.459 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.0 -52.84 53.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.128 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -34.17 77.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.662 -179.226 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.413 ' HB2' ' HB3' ' A' ' 9' ' ' MET . 79.1 t90 -66.0 -49.31 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.167 176.727 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.75 -44.86 82.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.831 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -57.67 -53.21 60.77 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.031 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.94 -42.53 99.66 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.994 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.41 -43.25 81.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.84 0.352 . . . . 0.0 111.024 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.587 HD21 ' HG3' ' A' ' 72' ' ' LYS . 24.9 mt -66.96 -37.4 84.2 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 177.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 64' ' ' VAL . 24.9 tp10 -65.79 -39.52 91.03 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.46 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.86 -51.03 71.29 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 38.9 pt -67.61 -31.38 52.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -174.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -26.36 34.16 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.585 178.617 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 60' ' ' GLU . 39.3 t -68.6 -48.0 74.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.605 0.241 . . . . 0.0 110.63 177.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -106.42 -80.32 0.56 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.949 177.162 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.591 ' HG3' ' HD2' ' A' ' 67' ' ' PRO . 11.6 ttm180 -175.44 141.33 0.64 Allowed Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -176.163 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.591 ' HD2' ' HG3' ' A' ' 66' ' ' ARG . 50.3 Cg_exo -54.26 115.03 2.09 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.643 2.228 . . . . 0.0 112.278 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.472 ' HD2' ' OE2' ' A' ' 116' ' ' GLU . 6.9 ttmt -139.19 115.6 10.51 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -176.547 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 67.16 -70.08 0.12 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.658 0.599 . . . . 0.0 111.025 -177.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.7 p -76.1 140.39 17.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.203 0.525 . . . . 0.0 109.82 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -135.07 161.24 35.88 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -178.221 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.587 ' HG3' HD21 ' A' ' 59' ' ' LEU . 65.2 tttp -59.61 -39.8 85.43 Favored 'General case' 0 CA--C 1.52 -0.2 0 O-C-N 123.203 0.314 . . . . 0.0 110.457 -178.431 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -51.01 -44.22 60.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.98 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -69.47 -46.21 67.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.693 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 72.5 mt -60.71 -39.98 83.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.227 -177.474 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -68.31 -42.08 79.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.984 0.421 . . . . 0.0 110.231 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.47 71.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.839 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.47 HG21 ' HB ' ' A' ' 109' ' ' THR . 77.9 t -67.12 -42.25 88.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.349 -177.197 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.69 ' HG2' ' HB1' ' A' ' 51' ' ' ALA . 14.4 tmtt? -55.77 -41.41 73.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.201 0.524 . . . . 0.0 110.377 179.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.49 -49.8 20.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.833 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -64.59 -31.68 73.0 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.04 -177.166 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.406 ' O ' HG23 ' A' ' 86' ' ' VAL . 51.3 t80 -65.52 -45.16 84.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.846 0.355 . . . . 0.0 110.58 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.98 -41.48 98.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.077 0.465 . . . . 0.0 110.359 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 24.9 mm-40 -61.44 -47.3 86.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.532 175.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.7 tt -52.64 -49.42 65.2 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 122.9 0.48 . . . . 0.0 110.818 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 82' ' ' PHE . 65.1 t -57.01 -46.98 84.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.019 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.425 ' O ' HG22 ' A' ' 91' ' ' VAL . 52.2 tp -66.83 -45.66 77.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 16.7 mm-40 -69.14 -24.38 64.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.762 -174.825 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.424 ' HA ' ' HD1' ' A' ' 24' ' ' TYR . 24.7 t -66.47 -21.54 66.19 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.061 0.458 . . . . 0.0 110.134 177.059 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -102.88 -57.91 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.647 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 87' ' ' LEU . 34.0 m -72.28 -23.78 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -174.386 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 50.4 m170 60.73 36.48 19.37 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.351 0.407 . . . . 0.0 111.866 175.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.514 ' HB3' ' OE1' ' A' ' 88' ' ' GLN . 68.2 t60 -69.68 -34.74 74.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.675 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.531 HG12 ' HB3' ' A' ' 88' ' ' GLN . 44.2 pt -96.65 159.39 3.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.386 177.452 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -82.59 168.49 17.28 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.96 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.794 ' HA ' ' HE2' ' A' ' 24' ' ' TYR . 42.7 tttp -68.41 -31.12 70.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.817 -169.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -71.77 -53.83 12.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 -177.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -62.86 -33.91 76.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.065 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -57.36 -41.43 80.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.876 0.37 . . . . 0.0 110.282 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.569 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 25.4 tptp -64.52 -44.24 91.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.457 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -65.48 -37.85 88.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.711 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.58 -43.02 96.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.849 174.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.6 m -58.84 -45.28 90.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.869 174.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' ' 100' ' ' LYS . 33.3 mm-40 -56.0 -48.94 74.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.516 176.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.7 m -57.1 -45.35 83.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.27 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.461 HG13 HG13 ' A' ' 78' ' ' VAL . 97.6 t -66.88 -53.8 30.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.628 179.331 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.433 HD23 HD12 ' A' ' 110' ' ' LEU . 29.0 mt -60.55 -35.3 75.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.986 -178.18 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -57.19 -52.11 66.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.931 0.396 . . . . 0.0 110.573 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.47 ' HB ' HG21 ' A' ' 78' ' ' VAL . 41.8 m -66.93 -38.73 86.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.62 HD21 ' SD ' ' A' ' 13' ' ' MET . 89.9 mt -59.9 -40.93 90.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.052 178.081 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -64.27 -36.3 83.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.506 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.44 -42.27 87.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.532 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 117' ' ' ILE . 60.8 t -71.8 -43.18 69.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.015 0.436 . . . . 0.0 110.303 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -61.13 -40.64 94.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.539 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -70.98 -39.89 72.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.537 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.472 ' OE2' ' HD2' ' A' ' 68' ' ' LYS . 7.9 mm-40 -59.85 -47.17 86.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.779 176.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 113' ' ' VAL . 83.7 mt -59.84 -44.44 94.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.844 0.354 . . . . 0.0 110.543 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.66 -17.02 61.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.106 0.479 . . . . 0.0 110.959 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -83.19 -44.53 14.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.975 177.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.048 178.625 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.1 tp . . . . . 0 N--CA 1.468 0.426 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.462 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 32.8 tp -61.68 -31.29 71.41 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -170.42 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -55.09 -36.38 65.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -65.67 -32.25 73.72 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.317 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.531 ' O ' HG12 ' A' ' 14' ' ' ILE . 17.2 m -73.62 -47.42 40.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.766 175.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 11.4 mm-40 -55.39 -45.3 76.64 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.699 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.511 ' O ' HG23 ' A' ' 16' ' ' VAL . 59.1 tt0 -62.71 -47.66 82.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.393 177.642 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.8 ttm -60.64 -36.32 78.37 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.531 HG12 ' O ' ' A' ' 10' ' ' THR . 28.6 mm -55.16 -52.16 47.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.795 175.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -67.47 -37.22 82.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.161 -176.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 12' ' ' GLN . 89.4 t -60.88 -42.19 91.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.715 0.293 . . . . 0.0 110.615 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.4 -49.81 67.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.749 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -58.93 -41.04 86.41 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.61 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 36.3 mttp -66.14 -44.74 83.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.04 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.75 -49.96 72.88 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.628 -178.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.463 ' HA ' ' CE2' ' A' ' 99' ' ' PHE . . . -58.2 -44.21 87.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.026 0.441 . . . . 0.0 111.346 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.623 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 4.2 t70 -72.81 -35.9 67.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.461 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -67.58 -36.49 80.99 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.237 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -70.65 -34.49 72.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.346 175.144 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.623 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 6.5 pt20 . . . . . 0 CA--C 1.532 0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 110.283 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.956 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 3.1 mmpt? . . . . . 0 CA--C 1.537 0.466 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.574 ' HD3' ' HB2' ' A' ' 41' ' ' LYS . 47.0 Cg_exo -56.47 -49.96 13.35 Favored 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 122.134 1.889 . . . . 0.0 113.172 -173.599 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.99 -35.93 79.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.475 -178.432 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.3 t -58.96 -54.59 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.219 -175.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.52 -38.12 88.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.619 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.32 -61.34 2.18 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.698 0.761 . . . . 0.0 111.236 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -62.67 -31.11 71.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.22 -1.355 . . . . 0.0 112.195 -172.821 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.65 -46.13 83.83 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.629 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -73.7 -38.35 64.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.096 0.474 . . . . 0.0 110.531 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.9 tp -58.27 -53.16 61.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.726 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.614 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -65.18 -30.23 71.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.289 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.6 -53.58 45.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.084 0.469 . . . . 0.0 110.473 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -69.21 -30.59 68.8 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.281 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -60.91 -47.61 85.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.152 175.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.46 -46.2 87.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.77 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -59.5 -42.56 92.45 Favored 'General case' 0 N--CA 1.432 -1.37 0 C-N-CA 123.229 0.611 . . . . 0.0 110.977 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.28 -45.19 91.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.239 178.097 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.87 98.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.871 0.367 . . . . 0.0 110.619 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.681 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 69.1 mt -60.24 -40.47 90.36 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.937 177.719 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.526 ' HA ' ' HD2' ' A' ' 63' ' ' LYS . 11.0 tp10 -55.71 -44.94 77.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.545 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.99 -40.78 95.48 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -177.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.596 ' HB ' ' HG3' ' A' ' 67' ' ' PRO . 26.4 pt -70.92 -35.39 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -174.016 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.681 ' HG3' ' O ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -83.19 -20.06 35.36 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 179.109 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 60' ' ' GLU . 54.9 t -78.19 -49.86 20.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.456 174.538 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.4 mtt-85 -106.89 -99.44 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.727 176.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.415 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 176.47 132.51 0.18 Allowed Pre-proline 0 C--N 1.33 -0.25 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -178.395 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.596 ' HG3' ' HB ' ' A' ' 62' ' ' ILE . 16.6 Cg_exo -65.72 132.36 30.44 Favored 'Trans proline' 0 N--CA 1.473 0.268 0 C-N-CA 122.614 2.209 . . . . 0.0 113.027 -174.352 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -98.88 -50.88 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.984 0.421 . . . . 0.0 110.805 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.402 ' CB ' ' HB1' ' A' ' 112' ' ' ALA . 74.0 m-85 -101.15 -52.6 3.23 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.358 -178.146 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 71' ' ' HIS . 8.3 p -74.55 163.9 3.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.652 -174.026 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.417 ' N ' HG22 ' A' ' 70' ' ' VAL . 11.1 t60 -135.58 144.8 46.38 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 176.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 17.9 ptmt -54.78 -42.5 71.8 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -175.75 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 72' ' ' LYS . 40.7 tt0 -57.48 -42.21 82.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.023 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.492 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 11.7 mm-40 -65.71 -37.12 85.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.09 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.47 -43.89 98.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.059 0.456 . . . . 0.0 110.491 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.84 -39.26 90.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.689 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.56 -46.62 53.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.615 -178.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.554 HG13 HG13 ' A' ' 106' ' ' VAL . 30.2 t -57.56 -41.76 79.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.048 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.614 ' HG3' ' HB1' ' A' ' 51' ' ' ALA . 83.1 tttt -52.94 -50.05 64.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.849 0.357 . . . . 0.0 111.196 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -74.76 -42.18 58.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 -176.689 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -62.98 -34.35 77.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.074 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.415 ' O ' HG23 ' A' ' 86' ' ' VAL . 74.0 t80 -65.02 -45.46 85.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.352 177.715 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.0 mt -62.88 -45.39 92.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.784 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.592 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 43.9 tt0 -63.33 -38.28 90.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.193 177.13 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.4 ' HA ' ' OE1' ' A' ' 88' ' ' GLN . 7.2 tt -58.54 -54.15 50.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.997 178.388 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 82' ' ' PHE . 66.4 t -58.91 -40.83 81.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.723 0.296 . . . . 0.0 110.871 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.54 -57.63 12.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.847 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.592 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -80.06 -8.55 59.44 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -173.748 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.0 m -67.34 -26.31 66.43 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.685 0.279 . . . . 0.0 110.525 176.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -80.72 -55.91 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.908 0.385 . . . . 0.0 110.887 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.447 HG23 ' H ' ' A' ' 93' ' ' HIS . 19.1 m -75.22 -15.69 15.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -174.207 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 43.7 m170 64.78 24.93 12.9 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.74 0.416 . . . . 0.0 110.77 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.447 ' H ' HG23 ' A' ' 91' ' ' VAL . 14.4 t60 -84.53 55.96 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.325 0.583 . . . . 0.0 110.947 -173.453 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 98' ' ' ARG . 18.7 tt -157.63 146.52 10.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.433 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -88.34 46.03 1.34 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -174.023 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 99' ' ' PHE . 46.5 mttp 69.91 -65.76 0.3 Allowed 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 167.372 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.556 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 36.1 pttt -56.25 -46.48 79.59 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -170.517 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.556 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -71.44 -22.81 61.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.934 0.397 . . . . 0.0 110.263 -175.669 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.463 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 86.1 t80 -64.29 -44.63 91.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.834 177.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -67.22 -38.16 84.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.414 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -56.92 -50.64 71.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.559 176.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.43 -51.24 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.556 176.715 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 45.4 m -56.44 -43.27 79.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.246 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -65.12 -49.78 68.63 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.603 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.7 m -58.39 -37.13 74.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.209 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.554 HG13 HG13 ' A' ' 78' ' ' VAL . 73.9 t -72.2 -52.43 24.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.99 177.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 107' ' ' LEU . 17.8 mt -60.8 -38.13 84.33 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -176.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -58.8 -49.51 77.43 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.895 0.379 . . . . 0.0 110.053 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.41 ' HB ' HG21 ' A' ' 78' ' ' VAL . 28.5 m -64.25 -39.42 93.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.748 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 74.0 mt -61.76 -44.28 97.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.67 177.284 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -63.07 -35.31 79.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.67 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.402 ' HB1' ' CB ' ' A' ' 69' ' ' TYR . . . -61.46 -49.41 76.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.222 178.808 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 39.0 t -70.68 -38.57 73.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.527 0.68 . . . . 0.0 110.032 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -57.84 -39.9 78.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.544 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -72.06 -51.2 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.082 -178.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -57.92 -45.68 86.16 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 123.157 0.285 . . . . 0.0 111.759 -177.315 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.411 ' HB ' HD13 ' A' ' 7' ' ' LEU . 65.4 mt -64.94 -47.05 89.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.808 0.337 . . . . 0.0 111.027 -179.357 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.95 -28.48 67.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.058 0.456 . . . . 0.0 110.771 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 50.2 ttm-85 -70.3 -30.84 67.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.233 -179.481 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.44 ' HG ' HD13 ' A' ' 117' ' ' ILE . 40.8 tp . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 110.504 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.499 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 3.1 mm? -68.24 -48.86 63.98 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.24 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -48.7 -42.75 35.96 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.785 0.678 . . . . 0.0 112.441 -173.002 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 60.3 mtm -63.51 -42.69 98.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.366 . . . . 0.0 110.694 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.452 ' O ' HG13 ' A' ' 14' ' ' ILE . 18.0 m -69.15 -47.34 65.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.341 178.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 16.7 mm-40 -52.18 -44.82 64.85 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.173 0.511 . . . . 0.0 110.616 176.248 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.438 ' O ' HG23 ' A' ' 16' ' ' VAL . 57.1 tp60 -60.39 -49.46 77.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.838 177.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 64.1 mtt -61.1 -38.48 86.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.243 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 10' ' ' THR . 84.3 mt -61.58 -48.89 86.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.825 0.345 . . . . 0.0 110.581 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -61.04 -45.96 92.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.755 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 12' ' ' GLN . 85.5 t -61.65 -48.29 89.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.689 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.22 94.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.131 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -61.19 -51.24 69.83 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.394 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.563 ' HE3' ' N ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -67.78 -29.35 68.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.209 -176.659 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.78 -46.79 71.71 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.955 176.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.45 -38.45 84.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.015 0.436 . . . . 0.0 110.357 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.42 -45.07 92.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.325 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -65.84 -35.82 81.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.227 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -68.78 -36.87 78.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.611 177.541 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 . . . . . 0 C--O 1.234 0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.755 -178.055 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.457 ' HB3' ' CD ' ' A' ' 42' ' ' PRO . 86.7 tttt . . . . . 0 CA--C 1.536 0.423 0 CA-C-O 119.265 -0.398 . . . . 0.0 110.687 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.457 ' CD ' ' HB3' ' A' ' 41' ' ' LYS . 20.7 Cg_endo -60.33 -47.33 14.76 Favored 'Trans proline' 0 C--N 1.361 1.227 0 C-N-CA 121.647 1.564 . . . . 0.0 112.044 -176.88 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.28 90.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.53 -48.33 85.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.578 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.97 -42.98 99.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.265 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 7.5 mm-40 -58.37 -51.63 68.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.495 177.461 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -70.46 -25.72 63.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.358 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -65.23 -52.57 53.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.959 0.409 . . . . 0.0 109.961 176.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.7 -34.56 77.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.101 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 10.8 tp -59.09 -49.64 77.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.92 177.263 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.469 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -62.63 -32.0 72.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.466 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.16 -57.26 9.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.642 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -35.63 81.78 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.9 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -62.29 -49.27 76.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.174 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.31 98.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.741 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.17 -43.82 95.53 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.347 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.49 -37.86 69.15 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.36 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.545 ' HB1' HD13 ' A' ' 75' ' ' ILE . . . -67.96 -45.72 73.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.22 -35.44 77.21 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.842 177.045 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.5 ' O ' HG23 ' A' ' 64' ' ' VAL . 8.0 tp10 -62.06 -53.67 52.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.944 173.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.6 tp -57.06 -48.67 77.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.66 -174.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.516 HD13 HD12 ' A' ' 75' ' ' ILE . 39.3 pt -68.67 -28.63 40.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -172.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -83.47 -22.31 32.59 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 119.511 -0.876 . . . . 0.0 110.598 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 60' ' ' GLU . 65.0 t -83.23 -43.92 18.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.883 0.373 . . . . 0.0 110.24 177.368 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.403 ' NH1' ' HA ' ' A' ' 120' ' ' GLU . 7.6 ptm180 -130.87 131.12 44.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.832 176.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -73.82 119.22 75.0 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.355 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -78.69 159.01 28.34 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 123.307 2.671 . . . . 0.0 112.917 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -102.97 -30.58 10.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.185 -176.329 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -107.23 -57.11 2.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.047 0.451 . . . . 0.0 110.658 -176.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.8 p -75.99 154.21 6.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.5 -176.444 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -133.57 155.29 49.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.012 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -56.49 -43.05 79.29 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.716 0.635 . . . . 0.0 110.61 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -60.24 -37.38 80.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.952 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -69.13 -45.16 70.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.765 -176.568 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.545 HD13 ' HB1' ' A' ' 58' ' ' ALA . 73.3 mt -57.72 -41.61 79.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.588 -174.121 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -71.13 -38.49 72.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.163 0.506 . . . . 0.0 110.35 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.4 -44.42 78.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.826 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.402 HG21 HG21 ' A' ' 109' ' ' THR . 76.7 t -65.5 -39.89 86.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.234 -178.004 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.469 ' HG3' ' HB1' ' A' ' 51' ' ' ALA . 75.7 tttt -54.37 -43.75 71.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.187 0.518 . . . . 0.0 111.01 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -77.31 -51.49 10.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.135 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -62.23 -25.6 67.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.06 -176.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.477 ' O ' HG23 ' A' ' 86' ' ' VAL . 77.2 t80 -65.08 -49.12 71.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.882 0.373 . . . . 0.0 110.074 176.169 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 48.3 mt -64.78 -39.6 93.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.393 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.34 -46.72 87.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.478 175.117 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.41 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 5.4 tt -59.1 -46.14 89.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.545 -178.503 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 82' ' ' PHE . 84.1 t -56.53 -49.48 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.713 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.0 tp -63.07 -46.62 86.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.256 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.41 ' HG2' ' HA ' ' A' ' 85' ' ' LEU . 12.3 pt20 -74.36 -16.33 60.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.589 -175.421 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.6 t -72.34 -32.17 66.26 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.913 0.387 . . . . 0.0 110.611 178.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -78.28 -57.8 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.143 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.5 m -87.79 -12.05 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -172.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 66.0 m170 61.6 38.78 15.2 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.954 0.407 . . . . 0.0 111.039 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -87.2 64.24 8.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.215 0.531 . . . . 0.0 110.058 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.0 tt -178.6 162.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.238 -0.892 . . . . 0.0 108.736 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -98.14 162.62 13.11 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.804 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -56.24 -56.89 15.45 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.205 0.816 . . . . 0.0 113.205 -168.391 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -64.46 -33.74 76.58 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.697 0.284 . . . . 0.0 111.568 -171.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -76.39 -39.12 54.54 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -60.68 -44.84 96.02 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.964 0.411 . . . . 0.0 109.906 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.417 ' HD2' ' O ' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -60.97 -43.06 99.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.844 178.723 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.48 -51.57 69.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.006 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.441 ' O ' HG23 ' A' ' 106' ' ' VAL . 79.7 mt -60.83 -49.12 85.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.732 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.6 m -56.4 -46.85 79.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.04 -48.63 80.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.695 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.3 t -56.32 -45.34 80.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.897 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.446 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 94.9 t -64.24 -54.01 36.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.34 -42.68 92.07 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.552 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -60.02 -46.72 88.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 0.0 110.2 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 113' ' ' VAL . 41.6 m -65.03 -40.85 95.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.763 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 89.3 mt -60.41 -41.57 94.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.617 0.246 . . . . 0.0 110.671 177.435 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -61.7 -39.2 90.64 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.262 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.22 -46.46 73.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.352 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 117' ' ' ILE . 61.9 t -68.45 -43.78 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.181 0.515 . . . . 0.0 109.92 -176.804 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -55.23 -45.69 75.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.313 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -64.08 -52.87 57.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.463 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.442 ' HA ' ' HB3' ' A' ' 119' ' ' ARG . 26.3 mt-10 -67.17 -33.96 76.51 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -172.527 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 113' ' ' VAL . 68.5 mt -61.44 -42.25 93.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.069 175.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.25 -20.94 39.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.192 0.52 . . . . 0.0 110.651 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.442 ' HB3' ' HA ' ' A' ' 116' ' ' GLU . 18.3 ttm180 -90.48 5.22 48.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.921 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.403 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 9.9 pt-20 . . . . . 0 C--O 1.235 0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.498 173.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.0 tp . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.8 tp -64.67 -44.51 90.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.751 -177.198 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.444 ' HA ' ' HB2' ' A' ' 11' ' ' GLU . 38.1 mt-10 -63.7 -34.59 78.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.49 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 52.5 ttp -62.0 -43.59 98.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.472 ' O ' HG13 ' A' ' 14' ' ' ILE . 23.9 m -69.8 -42.84 73.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.225 176.451 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.444 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 34.6 mm-40 -53.25 -41.27 65.31 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.455 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -63.17 -49.53 73.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.767 178.58 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 89.5 mtp -59.81 -41.48 91.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.215 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 10' ' ' THR . 74.5 mt -64.55 -48.96 82.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.838 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.61 -42.13 91.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.165 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 12' ' ' GLN . 88.1 t -61.54 -43.96 97.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 120.817 0.342 . . . . 0.0 110.58 178.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.401 ' HB3' HD21 ' A' ' 107' ' ' LEU . . . -65.5 -40.69 93.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 48.6 mt-10 -62.05 -45.5 93.25 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.971 0.415 . . . . 0.0 110.691 177.237 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -64.25 -43.9 93.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.833 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.32 -49.03 83.02 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.109 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.625 ' HB2' HG21 ' A' ' 103' ' ' THR . . . -59.94 -47.72 84.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.406 . . . . 0.0 110.76 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.93 -44.57 97.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.31 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.424 ' HA ' ' HD2' ' A' ' 23' ' ' ARG . 10.6 tpt85 -66.69 -39.54 88.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.234 0.54 . . . . 0.0 110.253 -177.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.622 ' HE1' ' HA ' ' A' ' 96' ' ' LYS . 21.6 t80 -68.0 -36.39 79.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.245 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.188 -178.04 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.555 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 57.7 tptt . . . . . 0 CA--C 1.54 0.58 0 CA-C-O 119.486 -0.292 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.555 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 46.4 Cg_endo -67.1 -45.41 3.97 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 121.721 1.614 . . . . 0.0 112.806 -173.607 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.17 90.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.2 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.89 -47.98 81.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.852 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 49.1 mt-10 -56.71 -46.66 81.14 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.824 0.345 . . . . 0.0 111.228 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 7.3 mm-40 -61.63 -52.93 62.33 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.058 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -76.28 -25.98 55.45 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -172.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.58 ' HA ' HD21 ' A' ' 83' ' ' LEU . 36.6 t70 -61.95 -50.45 72.07 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 175.502 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -47.65 83.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.919 172.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 6.5 tp -55.2 -52.18 64.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.54 -176.344 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.57 -40.09 94.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.519 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.95 -43.91 86.58 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.162 0.506 . . . . 0.0 110.752 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 53' ' ' ARG . 4.2 ttt85 -65.89 -41.97 90.88 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.466 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -61.1 -48.59 80.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.484 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.8 -45.91 85.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -59.48 -46.88 87.52 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.544 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.04 -40.83 83.36 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.376 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.34 96.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.647 0.261 . . . . 0.0 111.047 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 59' ' ' LEU . 30.4 mt -60.78 -38.01 83.84 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.993 177.183 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -68.92 -40.97 78.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.051 0.453 . . . . 0.0 109.832 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.85 -50.9 71.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.413 -178.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 34.8 pt -72.52 -18.05 18.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.949 0.404 . . . . 0.0 111.432 -177.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -81.96 -50.43 9.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.933 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.9 t -83.55 -37.25 13.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.573 -174.637 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.455 ' HE ' ' CD ' ' A' ' 120' ' ' GLU . 30.0 tpt180 -100.53 -99.83 0.25 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.171 -176.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -155.34 134.62 7.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 -172.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -92.32 104.02 0.2 Allowed 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.799 2.333 . . . . 0.0 110.565 168.423 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.643 ' HE3' ' OE1' ' A' ' 116' ' ' GLU . 8.3 mtmt -93.8 -58.12 2.35 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.473 -174.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.487 ' CB ' ' HB1' ' A' ' 112' ' ' ALA . 71.2 m-85 -105.36 -54.0 2.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.281 0.562 . . . . 0.0 109.745 178.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.8 p -74.03 154.09 6.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.918 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -123.99 164.91 18.39 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -57.3 -38.92 74.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.373 . . . . 0.0 110.27 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -59.5 -44.62 93.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.644 177.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 78' ' ' VAL . 14.9 mm100 -66.93 -37.07 83.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.838 -175.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.3 mm -58.25 -45.01 89.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.919 0.39 . . . . 0.0 110.971 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -72.27 -29.78 64.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.453 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.01 -47.79 60.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.702 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.537 HG13 HG13 ' A' ' 106' ' ' VAL . 98.4 t -61.47 -41.56 90.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.683 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.7 tttm -52.8 -54.27 36.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.799 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.59 -38.47 54.79 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.436 -175.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -66.51 -33.92 76.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.253 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -64.23 -36.68 84.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.914 0.387 . . . . 0.0 110.516 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.58 HD21 ' HA ' ' A' ' 48' ' ' ASP . 58.8 mt -65.23 -48.87 71.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.204 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 46.2 mt-10 -61.17 -40.68 94.79 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.211 177.181 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.548 HD11 HG23 ' A' ' 103' ' ' THR . 6.7 tt -52.56 -53.45 46.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.702 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 68.3 t -60.23 -46.08 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.011 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.2 tp -63.73 -52.08 62.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.686 -176.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 4.6 pt20 -71.75 -18.81 62.11 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.466 -174.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.8 t -66.13 -40.81 90.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.319 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -80.31 -49.73 11.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.448 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.426 HG22 ' HA ' ' A' ' 88' ' ' GLN . 31.6 m -73.93 -21.53 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.332 -0.395 . . . . 0.0 112.035 -174.393 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 56.46 56.12 5.94 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.319 0.58 . . . . 0.0 110.188 -178.415 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -74.03 -11.98 60.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.679 -175.152 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.691 HD12 ' HB2' ' A' ' 98' ' ' ARG . 10.6 pt -132.52 -178.36 2.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.333 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -80.64 -70.38 0.53 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.702 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.622 ' HA ' ' HE1' ' A' ' 24' ' ' TYR . 38.4 ttmt -162.6 -60.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -173.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -52.74 -47.6 67.3 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -169.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.691 ' HB2' HD12 ' A' ' 94' ' ' ILE . 42.5 mtp180 -60.79 -40.41 92.55 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.952 -175.796 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.525 ' HB2' HD11 ' A' ' 94' ' ' ILE . 85.6 t80 -69.33 -44.52 71.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.067 0.461 . . . . 0.0 110.245 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -58.45 -47.93 82.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.485 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -58.95 -52.47 65.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.92 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 106' ' ' VAL . 82.8 mt -57.83 -51.57 68.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.993 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.625 HG21 ' HB2' ' A' ' 21' ' ' ALA . 27.1 m -60.6 -42.09 96.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.961 0.41 . . . . 0.0 111.186 -176.185 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -66.61 -43.26 85.25 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.305 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.1 m -60.76 -38.65 85.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.742 177.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.537 HG13 HG13 ' A' ' 78' ' ' VAL . 88.1 t -66.65 -51.17 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.831 176.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.401 HD21 ' HB3' ' A' ' 17' ' ' ALA . 67.3 mt -57.01 -45.12 83.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.765 0.317 . . . . 0.0 111.178 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -55.37 -43.52 75.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.592 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 113' ' ' VAL . 25.1 m -74.36 -35.31 63.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.171 -178.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 83.3 mt -63.49 -42.19 98.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.793 0.33 . . . . 0.0 110.882 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -67.9 -30.38 69.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.404 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.487 ' HB1' ' CB ' ' A' ' 69' ' ' TYR . . . -62.53 -49.03 76.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.456 177.006 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 117' ' ' ILE . 47.5 t -63.5 -47.37 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.117 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -56.72 -47.15 80.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.488 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.01 -46.77 88.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.257 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.643 ' OE1' ' HE3' ' A' ' 68' ' ' LYS . 13.6 pt-20 -72.3 -25.99 61.79 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -176.507 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 113' ' ' VAL . 85.0 mt -67.24 -53.06 36.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.963 0.411 . . . . 0.0 110.298 172.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.27 -31.34 72.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.323 0.582 . . . . 0.0 110.679 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 52.1 ttm-85 -63.21 -33.69 76.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.307 177.324 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.455 ' CD ' ' HE ' ' A' ' 65' ' ' ARG . 3.4 tp10 . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.359 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.9 tp . . . . . 0 C--O 1.232 0.174 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.523 HD11 ' HG3' ' A' ' 114' ' ' LYS . 58.9 tp -62.79 -36.51 83.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.731 -178.108 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.52 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 26.0 mp0 -60.9 -31.35 70.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.82 -177.346 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.475 ' CE ' ' HA ' ' A' ' 54' ' ' TRP . 52.2 ttp -68.34 -42.19 79.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.036 0.446 . . . . 0.0 110.049 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.492 ' O ' HG13 ' A' ' 14' ' ' ILE . 52.2 m -65.64 -43.78 88.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.052 175.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -63.58 -35.6 81.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.012 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -61.28 -45.28 95.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.461 175.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.559 ' SD ' HD21 ' A' ' 110' ' ' LEU . 49.4 ttm -64.6 -38.02 89.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.374 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 10' ' ' THR . 76.7 mt -57.86 -51.11 74.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 121.184 0.516 . . . . 0.0 110.41 176.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.35 -51.15 71.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.634 -178.197 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.9 t -60.69 -43.89 95.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.67 0.272 . . . . 0.0 110.907 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.82 -45.87 80.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.749 0.309 . . . . 0.0 111.063 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -69.44 -36.18 76.38 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.413 ' HA ' ' HB3' ' A' ' 22' ' ' ASP . 37.3 mttp -79.11 -26.43 42.92 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.577 178.123 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.19 -43.43 93.1 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 171.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -66.53 -38.01 86.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.521 -0.339 . . . . 0.0 110.538 174.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.413 ' HB3' ' HA ' ' A' ' 19' ' ' LYS . 20.3 t70 -59.59 -43.27 93.72 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.774 177.489 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -58.1 -47.0 84.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.899 175.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -58.24 -40.13 80.92 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.904 176.394 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 74.7 mt-30 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.191 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.509 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 27.5 tptp . . . . . 0 CA--C 1.535 0.37 0 CA-C-O 119.515 -0.278 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.509 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 30.2 Cg_endo -63.48 -41.4 26.12 Favored 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 121.836 1.69 . . . . 0.0 111.795 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.12 -37.27 69.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.859 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.0 t -59.54 -40.52 82.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.787 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 73.0 mm-40 -56.07 -44.51 79.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.317 0.58 . . . . 0.0 110.807 177.325 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -70.25 -46.64 64.02 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.164 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -54.88 -49.39 71.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.536 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -56.5 -53.98 51.15 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.543 0.527 . . . . 0.0 110.865 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.31 -41.21 88.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.243 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 tp -61.5 -52.95 62.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.627 -178.174 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.63 -42.14 99.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.767 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.37 -46.03 81.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.903 0.382 . . . . 0.0 111.211 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -36.36 78.48 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.725 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.475 ' HA ' ' CE ' ' A' ' 9' ' ' MET . 69.7 t90 -61.93 -43.05 99.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.406 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.93 -45.45 82.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.523 177.585 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -58.24 -48.12 81.41 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.236 177.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.24 -43.91 98.78 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.682 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.79 -44.6 80.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.969 0.414 . . . . 0.0 110.982 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 61.4 mt -63.2 -35.03 78.95 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.059 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.64 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 8.5 tp10 -55.19 -51.14 67.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.871 176.008 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.06 -39.77 94.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.881 -176.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.481 HG22 ' CG ' ' A' ' 67' ' ' PRO . 23.0 pt -72.77 -26.71 23.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -174.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.64 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 5.6 ptmm? -81.39 -28.89 34.16 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.922 0.391 . . . . 0.0 110.421 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 60' ' ' GLU . 95.6 t -82.22 -40.51 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.288 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -149.72 -175.16 4.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.768 0.318 . . . . 0.0 111.304 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.46 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -96.89 120.62 61.28 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.442 -178.141 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.481 ' CG ' HG22 ' A' ' 62' ' ' ILE . 2.0 Cg_endo -82.14 162.17 17.86 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.124 2.549 . . . . 0.0 111.077 173.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.541 ' HB2' ' NZ ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -105.63 -48.8 3.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.673 0.273 . . . . 0.0 111.334 -176.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -92.98 -53.11 4.28 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -174.65 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.98 149.24 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.984 0.421 . . . . 0.0 111.636 -171.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -131.89 155.41 47.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.149 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -60.47 -44.06 96.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.731 -176.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -56.14 -35.09 66.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.042 0.448 . . . . 0.0 111.124 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.536 ' O ' HG23 ' A' ' 78' ' ' VAL . 13.8 mm-40 -70.15 -46.36 64.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.192 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.0 mt -58.17 -41.28 80.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.599 -177.061 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -73.02 -26.65 61.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.035 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.48 -42.04 26.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.154 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 74' ' ' GLN . 82.0 t -54.79 -38.34 43.7 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.178 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.86 -176.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -56.75 -51.52 68.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.893 0.378 . . . . 0.0 111.273 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -76.2 -43.01 44.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.361 -176.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.523 ' HB3' HG23 ' A' ' 102' ' ' ILE . 5.7 m-20 -58.78 -37.27 75.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.22 178.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -62.91 -47.53 82.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.807 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.73 -44.53 96.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 15.3 mm-40 -63.77 -45.41 89.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.849 176.371 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 89' ' ' SER . 6.4 tt -52.92 -52.64 57.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.471 -178.201 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.2 t -62.3 -46.7 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.912 0.387 . . . . 0.0 110.847 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.497 ' O ' HG22 ' A' ' 91' ' ' VAL . 59.6 tp -59.51 -54.07 50.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.341 -177.339 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.603 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 26.7 pt20 -83.22 1.01 42.87 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -174.069 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 85' ' ' LEU . 21.9 t -69.74 -27.34 64.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 175.162 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -104.61 -50.92 3.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.278 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 87' ' ' LEU . 29.6 m -77.69 -33.75 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -176.221 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 73.3 m80 57.27 89.93 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -113.47 30.5 7.17 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.982 0.42 . . . . 0.0 111.509 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.435 HD11 ' HB2' ' A' ' 99' ' ' PHE . 18.0 pt -136.21 -177.92 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.708 176.704 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -93.65 -76.55 0.47 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.055 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -148.97 -66.63 0.23 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -177.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -51.34 -45.37 62.29 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -170.032 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.57 -27.25 68.82 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -172.012 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.435 ' HB2' HD11 ' A' ' 94' ' ' ILE . 48.9 t80 -69.6 -44.23 71.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.154 0.502 . . . . 0.0 109.814 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -71.5 -39.83 70.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.278 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.68 -51.38 67.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.106 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.523 HG23 ' HB3' ' A' ' 81' ' ' ASN . 62.9 mt -58.29 -47.24 88.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.781 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 58.0 m -57.66 -46.15 84.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 0.0 110.734 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -62.73 -51.44 67.15 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.03 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.4 t -58.87 -39.49 81.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -176.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.531 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 92.4 t -68.56 -53.95 24.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.85 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.404 HD13 HD12 ' A' ' 110' ' ' LEU . 4.4 mm? -60.41 -38.17 83.2 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.56 0.208 . . . . 0.0 111.56 -178.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -60.76 -43.58 97.83 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.485 ' O ' HG23 ' A' ' 113' ' ' VAL . 38.5 m -67.43 -39.49 85.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.542 176.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.559 HD21 ' SD ' ' A' ' 13' ' ' MET . 97.0 mt -61.79 -44.1 97.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.032 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -62.17 -38.45 89.12 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.414 0.625 . . . . 0.0 109.686 176.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.548 ' O ' ' HG2' ' A' ' 116' ' ' GLU . . . -63.19 -44.96 93.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.056 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 109' ' ' THR . 95.5 t -72.64 -32.76 42.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.19 -177.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.523 ' HG3' HD11 ' A' ' 7' ' ' LEU . 60.3 tttt -55.36 -46.74 76.45 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.457 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.84 -45.68 85.08 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.99 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 112' ' ' ALA . 64.0 mm-40 -56.66 -48.19 78.14 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 123.394 0.434 . . . . 0.0 110.848 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.465 HG21 ' HB2' ' A' ' 7' ' ' LEU . 76.2 mt -61.43 -45.7 98.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.765 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.37 -16.43 61.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.406 ' HA ' ' HD2' ' A' ' 119' ' ' ARG . 21.0 tpt180 -88.24 -20.01 26.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.565 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.963 173.941 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.474 ' HG ' HD13 ' A' ' 117' ' ' ILE . 51.2 tp . . . . . 0 CA--C 1.528 0.125 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.1 tp -69.23 -53.27 20.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.989 -177.073 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.37 -38.43 91.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.455 -176.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 44.8 ttp -61.22 -38.51 86.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.962 0.41 . . . . 0.0 110.081 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.557 ' O ' HG13 ' A' ' 14' ' ' ILE . 37.1 m -69.78 -49.5 52.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.317 176.002 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.26 -45.39 68.78 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.435 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.432 ' O ' HG23 ' A' ' 16' ' ' VAL . 57.0 tp60 -58.57 -48.51 80.66 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.28 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 50.3 ttm -62.97 -39.21 94.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.95 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.912 HG12 ' HB3' ' A' ' 110' ' ' LEU . 63.6 mt -65.66 -48.5 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.955 0.407 . . . . 0.0 110.215 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.483 ' HG2' ' HD2' ' A' ' 19' ' ' LYS . 41.4 tt0 -66.74 -37.06 83.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.722 -177.571 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 12' ' ' GLN . 53.5 t -64.5 -34.48 69.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.87 0.367 . . . . 0.0 110.609 176.477 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.63 -46.47 38.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.046 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -67.02 -41.17 87.07 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.701 0.286 . . . . 0.0 111.092 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.483 ' HD2' ' HG2' ' A' ' 15' ' ' GLU . 56.1 mttm -74.65 -18.13 60.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.322 174.558 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.31 -47.95 55.05 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.062 -0.59 . . . . 0.0 111.751 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' HA ' ' HE2' ' A' ' 99' ' ' PHE . . . -62.83 -40.0 96.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.288 0.566 . . . . 0.0 110.176 176.102 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.08 -46.24 89.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.82 176.071 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -69.82 -29.58 66.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.779 -178.302 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -65.99 -34.75 78.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.966 0.412 . . . . 0.0 110.362 175.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 . . . . . 0 C--N 1.328 -0.341 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.548 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.592 ' HB2' ' HD3' ' A' ' 42' ' ' PRO . 9.7 mtpm? . . . . . 0 CA--C 1.537 0.47 0 CA-C-O 119.509 -0.281 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.592 ' HD3' ' HB2' ' A' ' 41' ' ' LYS . 12.8 Cg_exo -69.65 -46.45 1.27 Allowed 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 121.905 1.737 . . . . 0.0 112.213 -175.6 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.82 -39.15 80.33 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.14 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.3 t -63.96 -45.65 96.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.723 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 43.2 mt-10 -64.58 -47.86 77.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.391 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -61.49 -49.46 76.66 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.93 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -63.03 -37.94 89.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.812 -177.252 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.595 ' HA ' HD21 ' A' ' 83' ' ' LEU . 24.3 t70 -62.33 -50.67 70.7 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.111 176.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -53.66 -49.3 68.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.679 173.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.5 tp -57.79 -49.57 76.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.621 -177.21 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.49 -44.45 95.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.454 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.56 -40.82 84.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.882 0.373 . . . . 0.0 111.27 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -74.09 -37.38 64.2 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.271 -177.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -63.3 -45.53 90.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.076 0.465 . . . . 0.0 110.162 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.477 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -59.34 -48.88 79.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.816 178.054 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -57.45 -46.51 83.52 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.93 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.16 -41.08 98.52 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.345 179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.447 ' HB1' HD13 ' A' ' 75' ' ' ILE . . . -65.14 -34.43 78.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 178.388 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 83.6 mt -63.69 -38.91 92.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 177.471 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -61.42 -44.62 96.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.783 176.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.86 -50.54 73.01 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.075 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.77 HG22 ' HG3' ' A' ' 67' ' ' PRO . 37.9 pt -69.85 -18.43 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 111.835 -176.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -83.13 -28.06 29.69 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.999 0.428 . . . . 0.0 110.564 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.522 HG12 ' HG3' ' A' ' 65' ' ' ARG . 71.1 t -92.4 -50.29 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.092 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.522 ' HG3' HG12 ' A' ' 64' ' ' VAL . 52.3 mtp85 -124.58 -174.59 3.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.556 -174.608 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.464 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 79.9 mtt180 -109.53 137.06 20.23 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 120.688 0.28 . . . . 0.0 111.295 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.77 ' HG3' HG22 ' A' ' 62' ' ' ILE . 2.9 Cg_exo -75.59 168.32 24.65 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.771 2.314 . . . . 0.0 111.236 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -112.18 -35.14 5.72 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.57 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -126.34 -60.75 1.25 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.506 -177.231 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 p -54.98 144.71 5.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-O 121.367 0.603 . . . . 0.0 112.198 -178.322 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -113.79 148.24 36.92 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.673 ' HE2' HD12 ' A' ' 62' ' ' ILE . 16.4 ptpt -62.84 -39.0 93.01 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -170.103 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -67.62 -29.95 69.4 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.227 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.531 ' O ' HG23 ' A' ' 78' ' ' VAL . 15.2 mm-40 -61.77 -36.12 80.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.206 177.229 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.447 HD13 ' HB1' ' A' ' 58' ' ' ALA . 68.4 mt -63.61 -41.44 92.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.781 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.99 -34.74 75.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.34 178.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.46 -43.86 84.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.635 178.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 74' ' ' GLN . 79.8 t -56.46 -43.53 78.1 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.067 179.069 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -55.81 -48.96 74.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.701 0.286 . . . . 0.0 111.404 -178.185 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -71.9 -42.02 67.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.981 0.419 . . . . 0.0 110.665 -178.203 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -68.99 -33.73 74.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.889 -177.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -65.85 -39.85 91.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.089 0.471 . . . . 0.0 110.234 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.595 HD21 ' HA ' ' A' ' 48' ' ' ASP . 91.3 mt -67.17 -36.23 81.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.464 177.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 22.5 tt0 -73.96 -32.58 63.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.348 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.5 tt -55.8 -51.27 68.04 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.903 175.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.0 t -60.61 -41.82 89.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.3 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.608 ' O ' HG22 ' A' ' 91' ' ' VAL . 49.6 tp -58.61 -59.32 5.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.099 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.531 ' HB3' ' HB ' ' A' ' 94' ' ' ILE . 96.6 mt-30 -52.06 -43.11 63.65 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.486 0.491 . . . . 0.0 111.333 -176.118 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.7 m -58.82 -55.73 31.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.625 -176.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -80.3 -33.94 37.23 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -170.264 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.608 HG22 ' O ' ' A' ' 87' ' ' LEU . 14.7 m -88.27 -6.83 10.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.882 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 39.4 m80 58.7 30.69 20.29 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.589 176.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -83.16 -7.2 59.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.337 0.589 . . . . 0.0 110.293 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.858 HD11 ' HB2' ' A' ' 98' ' ' ARG . 10.5 tp -96.93 144.76 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.381 175.421 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -82.64 -71.98 0.47 Allowed 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.526 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.596 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -150.67 -75.73 0.15 Allowed 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -177.309 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -58.13 -55.83 29.94 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -169.641 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.858 ' HB2' HD11 ' A' ' 94' ' ' ILE . 69.1 mtt180 -53.19 -39.76 63.89 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -168.121 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.702 ' HB2' HG12 ' A' ' 94' ' ' ILE . 71.0 t80 -58.87 -53.71 55.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.796 0.331 . . . . 0.0 111.354 -177.225 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -67.18 -35.15 79.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.375 -175.135 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -67.55 -46.92 71.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.712 0.292 . . . . 0.0 110.663 177.083 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.418 ' O ' HG23 ' A' ' 106' ' ' VAL . 79.7 mt -57.28 -46.84 85.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.129 175.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.439 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 38.3 m -55.84 -49.6 72.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 176.7 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -62.42 -37.87 87.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.032 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.2 t -63.83 -38.89 92.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.947 0.403 . . . . 0.0 110.17 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 102' ' ' ILE . 94.6 t -71.9 -44.31 67.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.128 176.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 103' ' ' THR . 90.9 mt -59.21 -39.15 81.76 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.481 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -55.22 -46.06 75.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.119 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.514 ' O ' HG23 ' A' ' 113' ' ' VAL . 24.3 m -69.55 -43.49 72.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.83 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.912 ' HB3' HG12 ' A' ' 14' ' ' ILE . 90.6 mt -60.88 -43.15 98.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.694 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -70.75 -28.14 64.47 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.023 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.44 -49.45 66.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 174.724 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 109' ' ' THR . 52.9 t -62.24 -43.55 98.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.177 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -57.3 -43.97 83.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.076 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -60.29 -48.6 81.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.696 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.13 -42.37 99.17 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.398 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 113' ' ' VAL . 78.6 mt -61.87 -48.28 89.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 120.806 0.336 . . . . 0.0 110.752 177.47 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.97 -31.38 72.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.225 0.536 . . . . 0.0 110.371 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 119' ' ' ARG . 0.0 OUTLIER -67.95 -50.07 58.07 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.383 175.622 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.448 ' OE1' ' HA ' ' A' ' 120' ' ' GLU . 4.9 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.6 tp . . . . . 0 C--O 1.234 0.272 0 CA-C-O 121.243 0.544 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.6 tp -68.99 -40.96 78.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.257 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -55.38 -44.76 76.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.189 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 71.6 mtm -63.11 -40.49 97.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.713 0.292 . . . . 0.0 110.603 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.444 ' O ' HG13 ' A' ' 14' ' ' ILE . 20.2 m -65.06 -48.84 72.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.993 0.425 . . . . 0.0 110.08 177.456 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -55.6 -44.98 77.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.734 177.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.453 ' O ' HG23 ' A' ' 16' ' ' VAL . 63.3 tt0 -64.78 -42.83 94.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.099 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 56.3 mtt -60.1 -40.56 90.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.044 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 10' ' ' THR . 69.0 mt -60.0 -46.35 94.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.022 0.439 . . . . 0.0 110.207 176.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -65.26 -41.36 94.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.099 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 12' ' ' GLN . 55.0 t -58.98 -43.18 88.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.793 0.33 . . . . 0.0 110.506 178.287 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.96 -48.53 79.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.785 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -62.06 -42.71 99.47 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.823 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -64.43 -45.72 86.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.703 0.287 . . . . 0.0 110.661 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.92 -37.46 94.96 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.496 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.56 ' HA ' ' CZ ' ' A' ' 99' ' ' PHE . . . -60.87 -47.32 86.94 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.078 0.466 . . . . 0.0 111.046 178.793 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -70.7 -40.9 72.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.317 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -60.32 -43.06 96.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.975 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.433 ' HE1' ' CD2' ' A' ' 92' ' ' HIS . 88.2 t80 -63.11 -34.64 78.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.495 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.391 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.539 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 64.1 tttp . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.539 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 58.7 Cg_endo -71.41 -17.8 30.23 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.798 1.666 . . . . 0.0 112.816 -174.261 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.51 -34.81 74.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.56 -53.3 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.59 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -56.21 -43.63 78.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.637 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -60.81 -58.99 6.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.494 0.664 . . . . 0.0 110.98 -179.019 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -67.73 -25.55 65.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.789 -175.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -65.85 -48.6 71.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 173.311 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -57.15 -48.16 79.4 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.516 174.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.08 -49.41 78.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.079 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.88 94.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.713 0.292 . . . . 0.0 111.455 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 56' ' ' GLU . . . -62.22 -51.45 67.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.561 178.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.558 HH21 ' CD ' ' A' ' 56' ' ' GLU . 2.2 mmp_? -63.18 -38.78 92.5 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.562 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 46.5 t90 -66.2 -44.43 83.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.248 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.46 95.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.359 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.558 ' CD ' HH21 ' A' ' 53' ' ' ARG . 49.0 mt-10 -60.54 -43.07 97.58 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.175 178.601 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.91 -44.39 55.8 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.608 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.426 ' O ' HG12 ' A' ' 62' ' ' ILE . . . -61.22 -47.04 87.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.795 0.331 . . . . 0.0 110.464 179.041 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.821 HD23 HD11 ' A' ' 62' ' ' ILE . 28.4 mt -61.27 -34.45 75.21 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.387 179.36 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -59.43 -53.64 55.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.008 0.432 . . . . 0.0 110.589 176.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.2 mp -68.28 -37.32 80.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.18 -175.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.821 HD11 HD23 ' A' ' 59' ' ' LEU . 34.9 pt -81.63 -13.25 12.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.607 -176.617 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -81.83 -39.18 24.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.988 0.423 . . . . 0.0 110.013 174.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.4 t -75.62 -40.5 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.446 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.7 mtp-105 -102.58 -163.09 0.97 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.583 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.414 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -121.2 125.99 26.74 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.514 170.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.731 ' HG3' ' HB ' ' A' ' 62' ' ' ILE . 36.1 Cg_exo -59.44 111.86 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.872 2.381 . . . . 0.0 111.744 179.511 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.499 ' HB2' ' NZ ' ' A' ' 68' ' ' LYS . 4.7 ttmp? -70.54 -72.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.171 -175.317 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.505 ' HB2' ' HB1' ' A' ' 112' ' ' ALA . 9.4 m-85 -86.42 -61.08 1.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.277 0.56 . . . . 0.0 110.56 -178.195 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.422 ' CG2' HG23 ' A' ' 109' ' ' THR . 8.0 p -65.83 143.41 15.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.679 -173.815 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -95.34 145.42 25.12 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 175.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.403 ' HD2' ' C ' ' A' ' 72' ' ' LYS . 0.5 OUTLIER -60.61 -39.28 87.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.255 0.55 . . . . 0.0 109.92 -177.629 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -62.13 -29.38 70.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.042 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.528 ' O ' HG23 ' A' ' 78' ' ' VAL . 52.1 mt-30 -68.11 -43.89 77.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.634 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 71.3 mt -58.35 -40.55 78.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.02 -37.39 84.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.071 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.21 -35.29 61.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.998 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 74' ' ' GLN . 75.5 t -58.87 -36.32 60.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -53.19 -51.6 61.54 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.98 0.419 . . . . 0.0 110.876 178.469 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -74.92 -43.88 51.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.65 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.27 -31.37 71.19 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.222 0.326 . . . . 0.0 111.668 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -66.43 -49.8 65.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.204 0.526 . . . . 0.0 110.229 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 97.0 mt -66.7 -34.81 78.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.28 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.591 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 9.9 tp10 -60.71 -45.94 92.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.028 175.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.3 tt -52.51 -45.35 66.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.916 0.388 . . . . 0.0 110.013 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 47.4 t -65.87 -44.99 92.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.806 176.812 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.425 ' O ' HG22 ' A' ' 91' ' ' VAL . 59.2 tp -64.28 -53.67 45.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.188 -176.162 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.591 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 1.2 pp0? -69.58 -9.48 54.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.707 0.289 . . . . 0.0 111.489 -177.488 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.9 t -72.73 -21.96 60.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.535 0.684 . . . . 0.0 109.215 175.087 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -104.52 -53.94 2.61 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.056 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 87' ' ' LEU . 27.1 m -74.28 -21.16 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -176.274 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.433 ' CD2' ' HE1' ' A' ' 24' ' ' TYR . 49.1 m170 60.8 32.44 20.14 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 172.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.25 58.41 4.46 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.633 0.73 . . . . 0.0 111.255 -179.323 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.821 HG22 ' HD3' ' A' ' 98' ' ' ARG . 39.0 pt -140.68 -178.67 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.048 -178.274 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -131.97 69.7 1.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.658 0.266 . . . . 0.0 110.88 175.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.1 tptm 61.45 -76.53 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.988 0.915 . . . . 0.0 112.815 176.491 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -61.77 -29.08 69.9 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 122.685 0.394 . . . . 0.0 111.234 -172.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.821 ' HD3' HG22 ' A' ' 94' ' ' ILE . 64.9 ttt180 -60.31 -30.89 69.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.279 -177.131 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.56 ' CZ ' ' HA ' ' A' ' 21' ' ' ALA . 77.8 t80 -64.09 -48.42 76.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.943 0.402 . . . . 0.0 110.505 -179.213 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -66.73 -34.63 78.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.513 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -59.45 -50.83 72.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.399 177.265 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 77.0 mt -61.94 -45.87 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.76 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.0 m -57.99 -50.44 73.38 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.562 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -45.51 93.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.902 -178.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.5 m -56.05 -41.62 75.33 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.781 0.324 . . . . 0.0 111.264 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.421 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 89.5 t -70.2 -51.39 39.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.986 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.512 HD23 HD12 ' A' ' 110' ' ' LEU . 52.5 mt -62.39 -37.5 86.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.775 -177.292 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -55.79 -47.49 76.99 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.199 0.524 . . . . 0.0 110.521 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.514 HG21 HG21 ' A' ' 78' ' ' VAL . 91.5 m -67.56 -42.61 82.34 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.07 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.512 HD12 HD23 ' A' ' 107' ' ' LEU . 96.0 mt -58.77 -39.94 82.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -64.97 -37.71 88.56 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.991 0.424 . . . . 0.0 110.599 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' A' ' 69' ' ' TYR . . . -68.03 -38.39 82.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.278 -177.211 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.3 t -74.92 -41.58 46.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.213 0.53 . . . . 0.0 110.335 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -56.21 -42.6 77.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.883 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.94 -41.4 87.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.85 -41.04 99.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.435 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 68.8 mt -61.23 -44.15 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.946 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.64 -30.91 68.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 25.6 ttm105 -66.81 -49.25 66.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.254 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 . . . . . 0 C--N 1.324 -0.515 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -175.92 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 26.1 tp . . . . . 0 CA--C 1.532 0.268 0 CA-C-O 120.919 0.39 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.479 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 49.8 tp -77.3 -47.5 19.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.43 -173.028 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLU . . . . . 0.539 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 1.0 OUTLIER -56.52 -42.8 79.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.979 0.419 . . . . 0.0 110.757 -176.9 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.563 ' SD ' ' HD2' ' A' ' 53' ' ' ARG . 49.5 ttp -57.99 -41.79 83.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.721 177.461 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.49 ' O ' HG13 ' A' ' 14' ' ' ILE . 24.8 m -67.1 -45.19 77.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.95 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 30.7 mm-40 -57.12 -44.13 83.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.209 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.482 ' O ' HG23 ' A' ' 16' ' ' VAL . 53.0 tt0 -61.45 -42.06 98.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.569 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.545 ' SD ' HD21 ' A' ' 110' ' ' LEU . 49.0 ttm -66.54 -38.54 87.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.55 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 10' ' ' THR . 77.8 mt -63.02 -49.8 82.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.445 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -58.75 -43.33 90.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.485 -177.22 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 12' ' ' GLN . 94.3 t -61.73 -44.64 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.036 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.88 -47.95 73.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.728 0.299 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.3 -44.3 95.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.601 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -74.77 -37.52 62.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.453 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.06 -41.41 95.15 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.382 -0.914 . . . . 0.0 112.372 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.537 ' HA ' ' CE2' ' A' ' 99' ' ' PHE . . . -64.53 -45.18 88.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.969 0.414 . . . . 0.0 110.939 178.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -69.34 -40.57 77.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.934 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -65.54 -35.96 82.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.918 0.389 . . . . 0.0 110.651 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -71.1 -34.5 71.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.172 0.511 . . . . 0.0 109.924 178.173 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.836 178.574 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.606 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 63.0 tttp . . . . . 0 CA--C 1.538 0.515 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.414 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.476 ' CD ' ' HB3' ' A' ' 41' ' ' LYS . 16.3 Cg_endo -57.19 -31.91 91.96 Favored 'Trans proline' 0 C--N 1.364 1.375 0 C-N-CA 122.282 1.988 . . . . 0.0 112.829 -175.046 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.55 -46.84 68.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.243 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.4 t -63.15 -40.27 88.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.697 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 5.3 mm-40 -56.72 -49.02 76.42 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.237 0.541 . . . . 0.0 109.968 177.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 55.1 mm-40 -60.84 -49.41 77.61 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.039 176.366 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -58.82 -44.39 90.83 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -59.66 -55.04 39.42 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.209 0.318 . . . . 0.0 110.764 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -61.93 -39.83 93.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.046 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 12.8 tp -64.39 -53.74 43.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.498 -176.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.5 86.78 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.045 -177.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.777 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . . . -64.87 -56.85 10.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.562 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.563 ' HD2' ' SD ' ' A' ' 9' ' ' MET . 1.8 tmt_? -65.87 -33.25 75.41 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.077 -177.473 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.529 ' HA ' ' CE ' ' A' ' 9' ' ' MET . 59.0 t90 -66.43 -49.24 67.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.626 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.41 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -58.75 -45.2 90.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.247 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -60.35 -41.74 94.28 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.418 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.72 -43.36 67.7 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.736 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.12 -43.06 96.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.903 0.382 . . . . 0.0 110.779 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.47 HD23 HD11 ' A' ' 62' ' ' ILE . 52.0 mt -61.61 -37.56 84.36 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.849 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 64' ' ' VAL . 17.4 tp10 -54.98 -51.9 64.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.074 177.164 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 61' ' ' LEU . 4.1 mm? -63.74 -46.49 85.13 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -176.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.47 HD11 HD23 ' A' ' 59' ' ' LEU . 35.6 pt -72.53 -17.58 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.906 0.384 . . . . 0.0 111.154 -177.677 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -78.19 -42.84 30.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.338 177.088 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 60' ' ' GLU . 93.4 t -74.0 -48.48 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.669 -177.684 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -99.6 -78.83 0.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.781 0.324 . . . . 0.0 111.04 -178.248 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.757 ' HG2' ' HD2' ' A' ' 67' ' ' PRO . 3.2 ttm180 -174.3 157.25 2.48 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -178.151 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.757 ' HD2' ' HG2' ' A' ' 66' ' ' ARG . 15.2 Cg_exo -70.94 106.54 1.9 Allowed 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 121.746 1.631 . . . . 0.0 112.082 172.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.39 124.27 35.45 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 176.463 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 66.32 -70.81 0.1 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.769 0.668 . . . . 0.0 111.661 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.403 HG21 HG23 ' A' ' 109' ' ' THR . 11.1 p -76.57 147.5 7.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.605 0.717 . . . . 0.0 111.661 -173.402 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -97.54 145.97 25.72 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 173.658 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.427 ' HB2' ' NZ ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -58.5 -34.4 70.89 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.296 0.498 . . . . 0.0 111.773 -173.334 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -66.95 -29.16 68.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.738 0.304 . . . . 0.0 110.962 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.402 ' OE1' HG23 ' A' ' 70' ' ' VAL . 29.4 tt0 -67.37 -39.04 85.64 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.825 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 65.6 mt -63.02 -43.02 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.027 176.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 72' ' ' LYS . 57.5 mm-40 -58.19 -43.06 87.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.59 177.281 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.17 -50.83 59.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.184 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.478 HG13 HG13 ' A' ' 106' ' ' VAL . 65.8 t -58.19 -38.35 67.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.339 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.777 ' HE3' ' HA ' ' A' ' 52' ' ' ALA . 87.4 tttt -57.21 -43.44 82.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.808 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.22 -45.1 27.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.615 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -56.69 -38.95 72.97 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.316 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -60.81 -45.93 92.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.864 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.29 -42.76 83.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.774 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -61.7 -43.19 99.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.526 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.9 tt -55.13 -53.35 57.05 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.461 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.1 t -61.66 -47.97 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.35 -48.17 82.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.494 -177.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.499 ' HA ' HG22 ' A' ' 91' ' ' VAL . 28.2 mm-40 -73.08 -19.5 61.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.586 -175.088 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.8 t -69.16 -50.55 46.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.342 . . . . 0.0 110.283 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -65.42 -39.02 91.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.463 -178.53 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 88' ' ' GLN . 23.5 m -83.14 -8.36 11.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.34 -178.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 62.73 33.0 15.81 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.366 175.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -90.57 -14.89 31.63 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.022 0.439 . . . . 0.0 110.645 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 9.6 tp -94.3 145.04 8.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.507 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -96.78 150.36 20.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.543 ' HA ' ' HB3' ' A' ' 99' ' ' PHE . 20.8 pttp -64.49 -22.42 66.96 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -171.2 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -59.8 -57.48 12.71 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.373 0.606 . . . . 0.0 110.44 174.1 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -79.53 -26.48 41.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.528 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.543 ' HB3' ' HA ' ' A' ' 96' ' ' LYS . 65.1 t80 -58.05 -48.59 79.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.664 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -69.1 -37.18 78.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.283 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -57.9 -50.86 71.89 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.66 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.422 ' O ' HG23 ' A' ' 106' ' ' VAL . 83.1 mt -62.02 -49.82 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.717 178.539 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.409 HG21 ' HB2' ' A' ' 21' ' ' ALA . 31.1 m -56.35 -47.41 78.88 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 -179.315 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -62.21 -46.89 86.89 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.7 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.2 m -56.33 -41.84 76.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.926 177.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.478 HG13 HG13 ' A' ' 78' ' ' VAL . 75.7 t -65.78 -50.89 67.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.637 177.492 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.465 HD23 HD12 ' A' ' 110' ' ' LEU . 97.3 mt -59.54 -40.48 87.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.237 -178.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -54.46 -51.45 64.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 110.865 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.403 HG23 HG21 ' A' ' 70' ' ' VAL . 88.9 m -62.34 -39.72 94.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.74 178.802 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.545 HD21 ' SD ' ' A' ' 13' ' ' MET . 96.0 mt -60.96 -41.38 96.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 177.397 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 58.4 m170 -69.0 -33.29 73.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.407 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.62 74.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.99 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 117' ' ' ILE . 66.8 t -70.44 -44.25 77.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.175 -179.267 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -57.27 -37.67 72.72 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.181 0.515 . . . . 0.0 110.681 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.638 ' O ' ' HB2' ' A' ' 119' ' ' ARG . 14.6 t70 -60.89 -52.27 65.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.774 -178.108 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.468 ' HA ' ' HB2' ' A' ' 119' ' ' ARG . 6.3 pt-20 -66.92 -32.46 73.73 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -178.456 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 113' ' ' VAL . 74.1 mt -57.03 -39.8 68.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.853 0.359 . . . . 0.0 110.571 177.667 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -94.06 -17.4 22.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.413 . . . . 0.0 111.148 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.638 ' HB2' ' O ' ' A' ' 115' ' ' ASP . 1.4 tpt180 -73.37 -55.13 6.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.449 -177.082 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 C--N 1.328 -0.358 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 176.87 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.5 tp . . . . . 0 C--O 1.235 0.295 0 CA-C-O 120.699 0.285 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.602 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 57.4 tp -64.36 -50.26 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.653 -177.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -61.82 -32.32 72.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.921 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.405 ' O ' ' HG3' ' A' ' 13' ' ' MET . 77.4 mtp -62.16 -45.4 93.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.825 177.384 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.435 ' O ' HG13 ' A' ' 14' ' ' ILE . 23.7 m -66.68 -43.16 85.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.226 178.291 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 19.8 mm-40 -56.94 -41.93 79.13 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.433 177.358 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.484 ' O ' HG23 ' A' ' 16' ' ' VAL . 61.1 tt0 -65.85 -42.72 90.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.957 178.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.421 ' HG2' HD21 ' A' ' 50' ' ' LEU . 80.1 mtp -62.13 -39.59 93.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.957 179.425 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 10' ' ' THR . 81.1 mt -60.2 -44.71 96.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.058 0.456 . . . . 0.0 109.797 175.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -61.79 -46.84 87.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.106 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 12' ' ' GLN . 62.0 t -62.11 -46.17 97.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.882 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.2 -46.58 89.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.759 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -60.77 -47.41 86.45 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.484 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -60.21 -49.24 78.39 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.787 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.36 -36.77 92.09 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.881 -177.121 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HA ' ' HE1' ' A' ' 99' ' ' PHE . . . -70.72 -39.24 73.52 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -178.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -77.69 -28.91 51.18 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.801 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -64.47 -36.3 83.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.467 0.651 . . . . 0.0 109.421 171.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.693 ' HD1' ' HA ' ' A' ' 89' ' ' SER . 9.4 t80 -65.8 -34.72 78.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.135 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.779 -179.716 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.593 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 43.4 tptt . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 119.237 -0.411 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.593 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 47.9 Cg_exo -56.96 -33.07 94.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 121.805 1.67 . . . . 0.0 112.497 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.98 -22.38 49.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.636 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 66.4 t -62.11 -50.12 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.07 -174.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -60.03 -39.47 86.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.438 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 33.1 mm-40 -64.43 -53.09 53.84 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-O 120.609 0.242 . . . . 0.0 111.134 178.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -59.92 -43.98 94.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.454 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.78 -53.42 58.36 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.169 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.18 -42.95 99.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.188 177.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 12.7 tp -58.39 -53.23 60.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.685 -177.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.765 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -60.06 -44.62 94.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.481 -177.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.57 -52.41 57.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.18 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.59 -38.01 88.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.269 -176.7 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.5 t90 -69.09 -43.11 75.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.598 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.34 87.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.892 0.377 . . . . 0.0 110.324 176.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -59.77 -40.8 89.42 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.831 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.91 -42.24 45.95 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.299 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.51 89.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.788 0.328 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.678 HD23 HD11 ' A' ' 62' ' ' ILE . 29.3 mt -62.97 -33.9 76.37 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.851 178.083 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.522 ' O ' HG23 ' A' ' 64' ' ' VAL . 26.1 tp10 -62.41 -49.32 75.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.457 174.585 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.6 tt -63.66 -47.41 81.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.205 -175.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.678 HD11 HD23 ' A' ' 59' ' ' LEU . 42.8 pt -73.03 -8.4 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.063 0.459 . . . . 0.0 111.014 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 60' ' ' GLU . 15.1 tttt -81.91 -45.88 14.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.777 172.15 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 60' ' ' GLU . 86.3 t -61.0 -48.36 89.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.782 -176.148 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 65' ' ' ARG . 0.3 OUTLIER -122.48 177.58 5.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 -175.696 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -92.48 108.13 28.99 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 177.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.422 ' HG3' ' HB ' ' A' ' 62' ' ' ILE . 55.9 Cg_endo -70.75 170.91 16.62 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.535 2.157 . . . . 0.0 111.518 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.595 ' HB3' ' NZ ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -157.84 -29.71 0.08 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.592 178.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -94.36 -36.03 12.12 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.015 0.436 . . . . 0.0 110.004 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.49 HG21 HG22 ' A' ' 113' ' ' VAL . 7.1 p -103.43 142.13 17.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.585 177.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -116.51 153.38 32.27 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -67.59 -27.8 67.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.288 -178.022 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -61.64 -41.13 97.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.036 0.446 . . . . 0.0 110.405 172.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.468 ' HB3' ' CG2' ' A' ' 109' ' ' THR . 54.9 mt-30 -62.13 -40.53 96.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.292 -177.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.3 mm -61.63 -43.75 97.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.029 0.443 . . . . 0.0 110.655 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -72.17 -36.42 69.28 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.35 74.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.769 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.51 HG13 HG13 ' A' ' 106' ' ' VAL . 66.8 t -63.26 -38.75 82.95 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.681 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.765 ' HG3' ' HB1' ' A' ' 51' ' ' ALA . 38.7 ttpt -55.84 -45.69 78.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.974 0.416 . . . . 0.0 111.027 179.202 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -77.09 -47.37 20.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.044 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -60.92 -38.25 85.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.715 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.4 ' O ' HG23 ' A' ' 86' ' ' VAL . 44.7 t80 -61.45 -47.38 85.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.802 0.334 . . . . 0.0 110.612 -177.375 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 53.2 mt -60.78 -42.18 97.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.966 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.637 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 45.4 tt0 -67.53 -42.93 81.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.234 178.041 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.87 -50.45 68.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.721 -178.84 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 82' ' ' PHE . 84.2 t -57.52 -46.1 86.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.724 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 61.7 tp -61.37 -42.67 99.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.99 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.637 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 28.6 mm-40 -65.37 -36.19 83.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 -177.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' SER . . . . . 0.693 ' HA ' ' HD1' ' A' ' 24' ' ' TYR . 26.7 t -55.93 -38.5 70.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.689 -175.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -82.31 -49.28 10.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.739 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.8 m -78.05 -21.14 13.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -173.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 72.9 m-70 58.38 53.66 6.19 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.333 0.587 . . . . 0.0 110.08 -177.458 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.431 ' HB3' ' OE1' ' A' ' 88' ' ' GLN . 73.5 t60 -79.08 -44.26 22.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.049 -176.3 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.6 pt -97.68 -168.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.856 0.36 . . . . 0.0 110.949 -177.354 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -109.57 154.71 22.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.635 -178.01 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.403 ' HB2' ' HE3' ' A' ' 96' ' ' LYS . 49.1 mtmt -56.76 -43.38 80.7 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -174.052 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -55.28 -45.28 76.18 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.967 0.413 . . . . 0.0 110.851 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.435 ' O ' HG13 ' A' ' 102' ' ' ILE . 8.0 tpm_? -73.95 -39.13 63.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.093 -179.288 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.412 ' HE1' ' HA ' ' A' ' 21' ' ' ALA . 34.6 t80 -63.4 -49.15 74.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.765 -178.137 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -64.46 -31.68 72.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.996 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -68.0 -44.58 76.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.997 0.427 . . . . 0.0 110.414 175.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 98' ' ' ARG . 84.5 mt -60.14 -41.75 87.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.701 173.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.1 m -59.24 -45.91 89.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.205 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -59.56 -42.64 92.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.425 175.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.4 t -57.97 -44.67 87.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.06 0.457 . . . . 0.0 110.321 177.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.51 HG13 HG13 ' A' ' 78' ' ' VAL . 98.6 t -67.28 -53.22 34.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.006 178.016 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.539 HD23 HD12 ' A' ' 110' ' ' LEU . 82.4 mt -62.97 -38.19 90.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -175.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -63.11 -40.48 97.74 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 113' ' ' VAL . 86.4 m -64.52 -45.21 88.23 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.303 175.132 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.539 HD12 HD23 ' A' ' 107' ' ' LEU . 99.1 mt -61.62 -38.04 86.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -64.08 -37.91 89.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.593 176.348 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.19 -44.02 85.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.702 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 109' ' ' THR . 50.5 t -65.11 -50.35 74.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.867 178.403 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -54.53 -42.68 71.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.109 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.526 ' O ' ' HB2' ' A' ' 119' ' ' ARG . 19.3 t0 -60.95 -51.2 70.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.999 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.49 -32.82 73.06 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 113' ' ' VAL . 64.2 mt -63.0 -50.78 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.303 175.657 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.75 -9.79 58.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.155 0.502 . . . . 0.0 110.681 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.526 ' HB2' ' O ' ' A' ' 115' ' ' ASP . 6.0 ttt180 -99.36 -7.67 25.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.129 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' ' 117' ' ' ILE . 13.8 mm-40 . . . . . 0 C--O 1.232 0.183 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.744 177.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.3 tp . . . . . 0 C--O 1.235 0.323 0 CA-C-O 121.029 0.442 . . . . 0.0 110.076 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.439 HD11 ' HG3' ' A' ' 114' ' ' LYS . 57.7 tp -56.48 -46.44 80.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.045 177.101 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -63.73 -37.48 87.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.605 -177.364 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 44.8 ttp -70.04 -36.68 75.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.9 0.381 . . . . 0.0 109.984 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.566 ' O ' HG13 ' A' ' 14' ' ' ILE . 27.5 m -64.07 -44.45 92.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.777 174.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -52.7 -51.19 61.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.429 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.495 ' O ' HG23 ' A' ' 16' ' ' VAL . 62.1 tt0 -59.99 -43.51 95.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.772 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.0 ttt -64.32 -38.17 90.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.571 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 10' ' ' THR . 73.3 mt -60.89 -46.59 96.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.286 176.811 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.93 -39.35 89.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.174 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 12' ' ' GLN . 62.1 t -64.64 -40.21 88.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.782 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.77 91.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.891 0.377 . . . . 0.0 110.494 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -58.49 -49.02 78.86 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.65 175.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.609 ' HA ' ' HB3' ' A' ' 22' ' ' ASP . 29.6 mmtm -70.49 -22.63 62.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.044 -178.629 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.28 -47.02 84.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.694 173.638 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.541 ' HB2' HG21 ' A' ' 103' ' ' THR . . . -68.06 -37.74 81.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.252 0.548 . . . . 0.0 109.999 175.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.609 ' HB3' ' HA ' ' A' ' 19' ' ' LYS . 9.9 t70 -58.44 -41.86 86.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.716 174.666 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -63.75 -34.75 78.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.475 -178.67 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -72.06 -36.89 69.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.425 175.074 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.686 178.506 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.637 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 46.2 tptt . . . . . 0 CA--C 1.536 0.411 0 CA-C-O 119.256 -0.402 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.637 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 6.4 Cg_exo -73.89 -47.07 0.28 Allowed 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 121.709 1.606 . . . . 0.0 111.443 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.83 -30.43 71.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.185 -178.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.9 t -63.61 -54.98 25.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.707 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -61.96 -44.28 97.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.695 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 45.0 mm-40 -56.2 -54.31 46.73 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.452 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -68.85 -36.01 77.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.5 -178.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.546 ' HA ' HD21 ' A' ' 83' ' ' LEU . 28.0 t70 -55.49 -52.99 61.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.98 0.419 . . . . 0.0 110.565 175.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -71.33 -30.59 66.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.045 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 12.5 tp -63.38 -51.67 64.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.946 0.403 . . . . 0.0 110.264 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.63 -38.07 86.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.66 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.41 -51.35 66.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.841 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -59.6 -45.4 92.01 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.33 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -62.41 -45.82 91.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.466 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.7 89.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.418 177.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -60.46 -48.56 81.24 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.105 177.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.61 -41.58 99.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.363 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.498 ' HB1' HD13 ' A' ' 75' ' ' ILE . . . -66.11 -43.07 88.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.786 0.327 . . . . 0.0 110.864 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.6 HD23 HD11 ' A' ' 62' ' ' ILE . 51.3 mt -65.53 -36.29 83.38 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.091 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 9.2 tp10 -63.73 -42.49 97.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.271 176.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.8 tp -63.43 -47.3 82.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.067 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.6 HD11 HD23 ' A' ' 59' ' ' LEU . 34.8 pt -79.68 -2.14 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.391 0.615 . . . . 0.0 110.912 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -82.65 -36.35 26.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.233 171.3 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 68.3 t -68.08 -55.31 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.394 178.184 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.436 ' HB3' ' H ' ' A' ' 66' ' ' ARG . 64.7 mtt180 -136.45 -161.96 1.22 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.616 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.436 ' H ' ' HB3' ' A' ' 65' ' ' ARG . 8.0 mpt_? -90.58 149.06 40.05 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.787 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 8.1 Cg_exo -70.38 138.39 35.74 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.644 2.23 . . . . 0.0 110.817 173.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -86.9 -55.84 3.66 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.996 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -125.33 -43.7 1.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.857 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.78 154.12 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 172.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' HIS . . . . . 0.432 ' O ' HG13 ' A' ' 75' ' ' ILE . 27.9 m80 -129.36 149.28 51.21 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.315 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -60.61 -35.89 77.25 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -48.69 -49.99 35.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.617 172.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -71.58 -40.04 70.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.604 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.498 HD13 ' HB1' ' A' ' 58' ' ' ALA . 93.2 mt -59.62 -45.16 94.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.814 0.34 . . . . 0.0 111.231 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.56 -32.49 69.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.1 0.476 . . . . 0.0 110.533 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.3 -51.31 31.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.797 177.387 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.429 HG13 HG22 ' A' ' 106' ' ' VAL . 54.6 t -58.97 -40.84 81.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.042 -178.029 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.551 ' HD3' ' N ' ' A' ' 80' ' ' ASP . 11.7 tmtt? -51.36 -53.14 39.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.422 178.202 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.551 ' N ' ' HD3' ' A' ' 79' ' ' LYS . 0.7 OUTLIER -78.21 -39.34 40.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.125 -174.795 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -63.9 -34.72 78.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.189 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.491 ' HZ ' ' HB ' ' A' ' 16' ' ' VAL . 50.2 t80 -62.01 -40.91 97.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.548 -179.435 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.546 HD21 ' HA ' ' A' ' 48' ' ' ASP . 84.8 mt -65.05 -38.05 89.56 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.738 178.489 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -70.87 -38.35 73.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.628 176.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.576 HD12 HG22 ' A' ' 102' ' ' ILE . 6.2 tt -56.59 -51.98 66.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.147 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.5 t -58.42 -46.03 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.875 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.527 ' O ' HG22 ' A' ' 91' ' ' VAL . 48.6 tp -64.98 -47.73 76.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 -179.244 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.434 ' HA ' HG22 ' A' ' 91' ' ' VAL . 17.1 mm-40 -63.13 -27.58 69.48 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -176.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.7 t -67.61 -18.87 65.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.627 0.251 . . . . 0.0 110.6 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -110.48 -34.74 6.23 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 87' ' ' LEU . 28.0 m -82.84 -23.91 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.52 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 58.85 45.29 15.58 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 172.022 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -118.85 70.3 0.82 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 122.503 1.144 . . . . 0.0 110.995 173.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.517 HG13 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -129.01 164.57 31.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 114.532 -1.213 . . . . 0.0 108.744 172.784 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -89.04 -71.21 0.61 Allowed 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.465 -177.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -159.98 -71.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.799 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.452 ' NZ ' ' HB2' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -69.67 -28.86 66.22 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -170.022 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -59.69 -49.71 76.67 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -175.603 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.517 ' HB2' HG13 ' A' ' 94' ' ' ILE . 73.0 t80 -61.69 -40.89 96.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.031 0.444 . . . . 0.0 110.289 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -67.36 -48.44 67.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.141 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -61.14 -47.49 85.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.156 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.576 HG22 HD12 ' A' ' 85' ' ' LEU . 60.4 mt -58.2 -48.94 83.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.217 178.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.541 HG21 ' HB2' ' A' ' 21' ' ' ALA . 37.4 m -59.8 -46.43 89.24 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.129 0.49 . . . . 0.0 110.478 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -64.74 -46.24 83.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.155 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.4 t -57.56 -47.53 81.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.341 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.429 HG22 HG13 ' A' ' 78' ' ' VAL . 74.3 t -59.61 -49.81 82.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.645 177.624 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 103' ' ' THR . 95.4 mt -57.97 -47.77 81.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.978 178.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -55.11 -51.43 66.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.019 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 113' ' ' VAL . 75.4 m -61.09 -44.15 97.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.816 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 93.9 mt -62.04 -38.59 89.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.731 0.3 . . . . 0.0 111.255 178.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -66.11 -36.76 84.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.347 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.66 -49.13 69.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.611 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 109' ' ' THR . 62.3 t -61.81 -45.6 98.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.991 -179.17 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.439 ' HG3' HD11 ' A' ' 7' ' ' LEU . 83.3 tttt -55.81 -48.38 75.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.084 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -68.26 -43.3 78.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.987 -175.142 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -59.07 -43.09 91.74 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.975 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 113' ' ' VAL . 87.4 mt -60.49 -50.74 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-O 120.921 0.391 . . . . 0.0 110.422 176.489 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.3 -17.44 63.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.581 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -84.43 -19.42 33.48 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.294 0.568 . . . . 0.0 109.836 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.424 174.034 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.8 tp . . . . . 0 C--O 1.234 0.272 0 CA-C-O 120.777 0.322 . . . . 0.0 111.415 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.51 HD11 ' HE3' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -71.39 -49.08 45.57 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -176.818 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -65.32 -28.61 69.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.658 0.266 . . . . 0.0 110.956 -178.536 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 83.7 mtp -61.15 -47.16 87.48 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 173.077 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.527 ' O ' HG13 ' A' ' 14' ' ' ILE . 31.0 m -63.88 -49.74 71.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.404 177.549 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -52.58 -39.6 61.74 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.415 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.466 ' O ' HG23 ' A' ' 16' ' ' VAL . 58.3 tp60 -61.17 -45.24 95.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.812 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.453 ' SD ' HD21 ' A' ' 110' ' ' LEU . 48.2 ttm -68.93 -36.25 77.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.425 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 10' ' ' THR . 67.2 mt -63.77 -42.83 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.116 177.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 38.6 tt0 -58.34 -41.69 85.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.883 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 12' ' ' GLN . 48.0 t -65.37 -40.53 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.3 . . . . 0.0 110.704 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.65 -49.36 73.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.527 177.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -59.69 -44.54 93.6 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.197 176.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 15.2 ttmm -58.85 -44.74 91.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.436 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.39 -42.91 80.7 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.302 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.49 -43.3 99.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.718 0.295 . . . . 0.0 110.998 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.85 -40.78 97.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.983 0.421 . . . . 0.0 110.319 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 23' ' ' ARG . 3.6 tpp180 -65.02 -41.01 95.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.434 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -66.36 -41.39 89.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.412 178.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 . . . . . 0 C--O 1.235 0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.661 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.616 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 21.6 ttpp . . . . . 0 CA--C 1.535 0.395 0 CA-C-O 119.296 -0.383 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.616 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 13.6 Cg_exo -68.88 -43.84 3.2 Favored 'Trans proline' 0 C--N 1.357 1.022 0 C-N-CA 121.333 1.355 . . . . 0.0 111.151 178.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.08 -30.6 71.57 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.995 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.96 -50.51 74.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.405 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -56.96 -46.52 82.08 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.93 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 17.7 mm-40 -59.25 -56.25 24.57 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.446 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -67.91 -36.39 80.11 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -173.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.61 -52.91 63.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.905 0.383 . . . . 0.0 110.765 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -74.79 -27.17 60.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.878 -179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 16.2 tp -61.46 -49.49 76.59 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 174.673 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.442 ' HA ' ' HE1' ' A' ' 13' ' ' MET . . . -62.6 -40.63 97.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.703 177.63 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.7 -46.17 89.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.911 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -70.58 -37.7 73.96 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.347 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -66.56 -43.0 86.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.131 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.81 -46.66 87.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.275 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -57.97 -48.32 80.33 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.897 177.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.67 -41.73 99.78 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.165 -0.541 . . . . 0.0 112.459 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.27 -45.59 83.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.591 0.234 . . . . 0.0 110.908 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 72.3 mt -61.01 -40.46 93.64 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.991 0.424 . . . . 0.0 110.7 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -60.7 -47.62 85.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.018 176.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.4 -50.49 71.34 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.842 -177.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 41.9 pt -68.74 -22.1 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.713 0.292 . . . . 0.0 111.77 -176.335 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.442 ' HE2' ' HB3' ' A' ' 63' ' ' LYS . 3.9 tmmm? -79.62 -43.37 22.99 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 99.5 t -73.14 -51.92 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.484 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -91.35 -88.32 0.19 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.303 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.405 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 32.7 ptt180 175.69 155.59 0.37 Allowed Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.818 -174.257 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 4.6 Cg_exo -81.2 107.86 1.93 Allowed 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.725 2.283 . . . . 0.0 110.388 169.163 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.687 ' HB3' ' HG2' ' A' ' 116' ' ' GLU . 10.9 tmtt? -87.79 -38.19 15.95 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -175.122 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.615 ' HB2' ' HB1' ' A' ' 112' ' ' ALA . 66.9 m-85 -129.86 -54.21 1.14 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.305 0.574 . . . . 0.0 110.136 174.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.511 HG23 HG23 ' A' ' 109' ' ' THR . 9.5 p -66.78 146.87 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.945 -173.482 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -105.47 155.25 19.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.334 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.53 -38.84 88.89 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -178.258 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' ' 73' ' ' GLU . 1.7 mp0 -59.1 -42.92 91.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.4 178.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.538 ' O ' HG23 ' A' ' 78' ' ' VAL . 51.7 mt-30 -58.09 -44.73 87.77 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.132 -178.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.56 -40.37 78.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.38 -175.757 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -75.89 -37.9 58.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.16 0.505 . . . . 0.0 110.266 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.25 -36.57 81.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.468 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 74' ' ' GLN . 53.3 t -60.75 -40.77 86.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.105 -178.547 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -58.36 -49.33 77.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.036 0.446 . . . . 0.0 110.217 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -59.93 -50.71 72.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.997 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.557 ' HB3' HG23 ' A' ' 102' ' ' ILE . 29.1 m-80 -67.1 -40.11 86.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.966 -176.396 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.428 ' HZ ' ' HB ' ' A' ' 16' ' ' VAL . 55.2 t80 -66.95 -42.54 85.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.642 -177.134 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 66.4 mt -63.21 -43.13 98.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.65 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -61.8 -39.22 90.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.368 175.604 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.529 HD12 HG22 ' A' ' 102' ' ' ILE . 7.8 tt -59.94 -53.28 59.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.136 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.9 t -61.27 -45.07 99.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.993 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.88 -45.17 93.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.218 0.533 . . . . 0.0 111.22 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -92.0 6.93 44.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.396 -175.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.1 t -70.95 -38.45 72.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.045 0.45 . . . . 0.0 110.257 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -83.55 -54.85 4.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.632 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.4 m -74.01 -24.62 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -175.437 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 31.8 m170 57.3 58.65 3.76 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.203 0.525 . . . . 0.0 111.277 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -71.72 -19.67 62.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.016 176.633 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 11.6 pt -126.98 98.11 4.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.322 175.051 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -109.14 71.3 0.77 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.666 0.746 . . . . 0.0 110.36 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.573 ' HG3' ' H ' ' A' ' 97' ' ' LYS . 13.0 tptm -166.73 -161.85 0.47 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.203 -177.572 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.573 ' H ' ' HG3' ' A' ' 96' ' ' LYS . 98.8 mttt -59.47 -29.04 67.53 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -177.584 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -53.02 -47.52 68.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.256 -177.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -66.23 -40.47 90.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.171 -179.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 50.1 mtpt -64.72 -48.93 72.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.652 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -60.62 -41.8 95.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.82 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.557 HG23 ' HB3' ' A' ' 81' ' ' ASN . 64.2 mt -58.26 -49.71 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.326 174.423 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 33.8 m -57.39 -45.23 84.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.536 177.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 100' ' ' LYS . 9.2 mm-40 -58.29 -49.22 77.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.996 178.024 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 44.1 m -60.31 -42.47 95.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.154 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 102' ' ' ILE . 91.0 t -67.17 -52.05 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.49 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.7 mt -58.73 -44.6 90.51 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.492 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -58.21 -48.65 79.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.686 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.511 HG23 HG23 ' A' ' 70' ' ' VAL . 28.0 m -64.68 -43.73 92.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.97 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.453 HD21 ' SD ' ' A' ' 13' ' ' MET . 92.3 mt -62.03 -43.95 97.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.115 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -65.33 -34.9 79.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 0.0 110.45 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.615 ' HB1' ' HB2' ' A' ' 69' ' ' TYR . . . -67.21 -50.69 59.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.154 -179.171 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 117' ' ' ILE . 64.4 t -67.35 -38.58 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.353 -177.097 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.51 ' HE3' HD11 ' A' ' 7' ' ' LEU . 87.3 tttt -56.51 -43.54 79.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.681 177.722 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -69.1 -35.08 76.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.437 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.687 ' HG2' ' HB3' ' A' ' 68' ' ' LYS . 51.2 mt-10 -66.86 -38.04 85.59 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.053 178.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 113' ' ' VAL . 78.6 mt -60.21 -50.23 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.713 178.18 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.82 -9.51 58.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.469 -178.832 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.23 -55.32 4.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.588 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 . . . . . 0 C--N 1.326 -0.428 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.774 -170.555 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.1 tp . . . . . 0 N--CA 1.465 0.299 0 CA-C-O 120.737 0.303 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.504 HD11 ' HE3' ' A' ' 114' ' ' LYS . 32.9 tp -63.41 -47.57 81.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.762 -179.256 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -52.33 -42.48 63.89 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.098 0.475 . . . . 0.0 111.389 -178.078 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.8 mtp -59.64 -45.97 90.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.812 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.432 ' O ' HG13 ' A' ' 14' ' ' ILE . 24.4 m -71.25 -38.1 71.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 21.7 mm-40 -56.57 -44.03 80.58 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.718 178.247 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.514 ' O ' HG23 ' A' ' 16' ' ' VAL . 60.1 tp60 -65.21 -44.24 88.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.261 177.73 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 74.5 mmm -54.68 -44.17 73.12 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 10' ' ' THR . 77.6 mt -59.62 -51.94 66.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.362 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.564 ' HG2' ' HD3' ' A' ' 19' ' ' LYS . 21.9 tt0 -66.21 -34.99 79.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.29 -176.238 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 12' ' ' GLN . 76.9 t -59.3 -46.29 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.674 0.273 . . . . 0.0 110.957 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.77 76.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.63 -35.84 80.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.839 177.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.564 ' HD3' ' HG2' ' A' ' 15' ' ' GLU . 1.2 tptm -64.12 -47.55 79.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.572 177.404 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.04 -43.71 99.1 Favored Glycine 0 C--N 1.333 0.37 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.148 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 25' ' ' GLN . . . -59.48 -46.64 88.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.714 0.293 . . . . 0.0 110.575 176.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -58.75 -48.24 81.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.209 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -58.84 -43.38 90.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.877 -175.493 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -75.04 -41.42 59.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.956 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.097 0.475 . . . . 0.0 109.771 -178.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.541 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 42.6 tttm . . . . . 0 CA--C 1.541 0.604 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.541 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 52.7 Cg_exo -56.12 -40.03 87.48 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.096 1.864 . . . . 0.0 113.205 -175.687 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.31 -41.0 70.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.747 0.308 . . . . 0.0 110.638 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.5 t -60.09 -43.26 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.455 179.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 47.5 mt-10 -54.99 -50.93 67.78 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.964 0.412 . . . . 0.0 111.051 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -61.89 -51.31 68.67 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.264 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -61.53 -39.01 89.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.17 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.527 ' HA ' HD21 ' A' ' 83' ' ' LEU . 25.9 t70 -59.62 -44.4 93.45 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.961 0.41 . . . . 0.0 110.816 178.51 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -63.46 -49.42 73.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.056 175.854 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.2 mp -57.64 -52.97 63.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.525 -178.187 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.71 -35.07 72.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.382 -177.685 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.432 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . . . -68.25 -57.38 6.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.142 -179.097 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -31.35 67.59 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.58 -175.713 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -64.14 -42.85 96.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 110.26 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.68 -43.88 97.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.447 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.69 -34.06 77.02 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.976 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.8 -43.7 65.62 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.1 -0.572 . . . . 0.0 111.779 175.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.19 98.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.973 0.416 . . . . 0.0 110.459 177.135 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.66 HD23 HD11 ' A' ' 62' ' ' ILE . 48.9 mt -60.05 -35.71 75.72 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.004 176.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -61.94 -45.38 93.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.819 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.86 -44.66 76.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.56 -178.617 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.66 HD11 HD23 ' A' ' 59' ' ' LEU . 40.6 pt -76.13 -6.69 9.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.097 0.475 . . . . 0.0 110.891 -179.38 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -81.77 -40.69 22.27 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 172.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.4 t -73.96 -50.54 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.09 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.451 ' HB3' ' H ' ' A' ' 66' ' ' ARG . 85.2 mtt180 -114.45 -161.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.175 0.512 . . . . 0.0 111.375 -177.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.451 ' H ' ' HB3' ' A' ' 65' ' ' ARG . 10.1 mpt_? -80.96 160.27 66.55 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.153 174.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.16 -52.78 8.1 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.724 2.283 . . . . 0.0 112.584 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.482 ' HG2' ' CD ' ' A' ' 116' ' ' GLU . 23.4 tptm 64.55 107.03 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.762 0.664 . . . . 0.0 111.58 177.215 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.53 ' HB2' ' HB1' ' A' ' 112' ' ' ALA . 34.6 m-85 68.89 -68.42 0.18 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.627 -177.12 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.637 HG21 HG23 ' A' ' 109' ' ' THR . 13.5 p -92.36 158.87 2.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.367 -174.131 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -122.25 163.78 19.03 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 176.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -62.74 -34.65 77.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.322 . . . . 0.0 110.946 -176.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -59.23 -38.38 79.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.259 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 78' ' ' VAL . 15.2 mm100 -71.6 -45.52 61.9 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.805 178.391 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.8 mt -59.13 -42.73 87.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -178.566 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -68.72 -32.95 73.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.935 0.398 . . . . 0.0 110.875 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.15 -46.51 67.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.18 176.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.438 HG13 HG22 ' A' ' 106' ' ' VAL . 70.4 t -60.98 -35.39 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.066 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 52' ' ' ALA . 81.8 tttt -55.47 -46.01 76.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.015 0.436 . . . . 0.0 110.813 178.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -77.47 -42.89 34.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.596 178.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.523 ' HB3' HG23 ' A' ' 102' ' ' ILE . 94.6 m-20 -65.88 -26.95 67.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.0 -175.48 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -65.49 -47.81 74.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.177 0.513 . . . . 0.0 109.723 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.527 HD21 ' HA ' ' A' ' 48' ' ' ASP . 98.3 mt -69.08 -37.12 78.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.104 178.246 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLU . . . . . 0.551 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 15.7 tp10 -57.86 -47.92 81.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.344 174.84 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.1 tt -55.44 -50.46 69.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 61.8 t -62.53 -46.07 97.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.945 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 42.5 tp -69.0 -44.47 72.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.507 -177.163 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.57 ' HG3' HD13 ' A' ' 94' ' ' ILE . 3.1 pt20 -64.7 -26.76 68.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.0 -175.466 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.0 t -65.54 -34.16 77.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.329 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -92.77 -37.42 12.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.994 -178.01 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.547 HG22 ' HA ' ' A' ' 88' ' ' GLN . 34.4 m -79.02 -19.3 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.069 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 39.6 m80 68.33 27.81 6.42 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.016 0.746 . . . . 0.0 113.016 171.145 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -89.44 39.87 0.96 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.984 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.57 HD13 ' HG3' ' A' ' 88' ' ' GLN . 24.4 pt -142.97 177.03 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.988 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -134.91 -72.99 0.47 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.949 174.171 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -149.55 -57.33 0.19 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.279 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.587 ' H ' ' HD2' ' A' ' 97' ' ' LYS . 8.5 mptt -51.83 -54.1 32.82 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.896 -173.501 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -63.01 -49.83 73.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 -177.211 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.48 -43.73 89.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.028 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -44.76 83.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.269 -178.445 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -65.31 -45.02 86.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.823 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.523 HG23 ' HB3' ' A' ' 81' ' ' ASN . 74.4 mt -60.43 -50.95 78.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.715 178.536 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 54.0 m -58.02 -44.06 87.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.111 0.481 . . . . 0.0 110.501 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.94 -51.71 67.0 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.187 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.0 m -60.0 -39.43 85.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.056 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.494 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 74.9 t -66.99 -52.02 48.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.637 0.256 . . . . 0.0 110.71 178.435 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.462 HD13 HD12 ' A' ' 110' ' ' LEU . 4.2 mm? -63.18 -38.67 92.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.292 -178.594 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -62.38 -40.63 97.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 110.201 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.637 HG23 HG21 ' A' ' 70' ' ' VAL . 93.9 m -65.68 -42.48 91.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.526 176.343 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 97.2 mt -59.63 -44.47 93.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.42 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -58.63 -40.28 82.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 178.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.53 ' HB1' ' HB2' ' A' ' 69' ' ' TYR . . . -64.77 -46.35 82.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.234 -177.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.502 ' O ' HG13 ' A' ' 117' ' ' ILE . 58.4 t -72.92 -39.94 59.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.188 0.518 . . . . 0.0 110.206 -178.129 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.504 ' HE3' HD11 ' A' ' 7' ' ' LEU . 1.3 tmtp? -60.9 -37.99 84.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.773 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -60.84 -47.95 84.02 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.785 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.482 ' CD ' ' HG2' ' A' ' 68' ' ' LYS . 26.6 mm-40 -64.33 -38.19 90.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.529 -179.247 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 113' ' ' VAL . 70.9 mt -59.55 -45.52 93.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.279 0.562 . . . . 0.0 110.236 178.367 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -82.18 -6.64 59.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.107 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 32.5 ttm-85 -93.28 -20.95 19.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.663 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.864 176.963 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.7 tp . . . . . 0 C--O 1.234 0.277 0 CA-C-O 121.126 0.489 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.9 tp -65.33 -51.23 62.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.141 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -57.82 -42.53 84.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.995 0.426 . . . . 0.0 110.48 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 82.5 mtp -58.15 -51.22 70.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.774 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.543 ' O ' HG13 ' A' ' 14' ' ' ILE . 19.5 m -63.49 -49.59 73.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.584 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -55.15 -43.42 74.19 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.3 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.508 ' O ' HG23 ' A' ' 16' ' ' VAL . 57.7 tp60 -62.26 -46.8 87.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.497 177.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 92.6 mtp -64.85 -34.82 79.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.346 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.625 HG12 ' HB3' ' A' ' 110' ' ' LEU . 67.2 mt -63.15 -43.65 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.199 176.465 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -64.4 -39.22 93.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.601 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 12' ' ' GLN . 95.9 t -61.69 -40.79 88.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.593 176.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.7 -45.23 87.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.99 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -56.16 -48.99 75.25 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.66 175.735 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -66.86 -35.28 79.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.296 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.21 -48.91 83.15 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.103 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.598 ' HB2' HG21 ' A' ' 103' ' ' THR . . . -64.25 -42.4 96.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.965 0.412 . . . . 0.0 110.406 177.09 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -56.78 -43.82 81.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.875 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.48 -40.5 80.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.374 -176.354 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.438 ' CE2' ' HA ' ' A' ' 96' ' ' LYS . 55.2 t80 -75.36 -37.96 60.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.626 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.204 -178.93 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.471 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 25.1 ttpp . . . . . 0 CA--C 1.531 0.221 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.471 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 21.5 Cg_endo -59.93 -46.09 21.17 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 122.015 1.81 . . . . 0.0 112.117 -178.259 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.38 -35.46 79.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.405 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.8 t -66.96 -45.93 86.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.792 177.236 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -62.59 -42.85 99.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.323 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -56.92 -55.83 29.5 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.092 0.473 . . . . 0.0 110.916 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.446 ' HB3' ' HE2' ' A' ' 82' ' ' PHE . 92.3 m-20 -67.36 -24.83 65.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.072 -177.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.555 ' HA ' HD11 ' A' ' 83' ' ' LEU . 19.3 t70 -64.67 -49.68 70.02 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 174.156 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.79 -41.33 97.95 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.042 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.13 -53.2 61.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.491 -179.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.13 -38.75 82.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.352 -177.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.24 99.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.897 0.38 . . . . 0.0 110.932 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -34.33 62.7 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.861 178.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -65.28 -44.34 88.32 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 176.669 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.94 -44.92 87.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.457 177.24 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -60.93 -39.56 89.91 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.767 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.427 ' O ' ' HB3' ' A' ' 60' ' ' GLU . . . -67.84 -43.23 84.25 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.105 177.507 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.476 ' HB1' HD13 ' A' ' 75' ' ' ILE . . . -65.0 -45.54 85.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.818 0.342 . . . . 0.0 110.657 177.875 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.558 HD23 HD11 ' A' ' 62' ' ' ILE . 53.5 mt -59.32 -33.61 71.33 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.178 0.513 . . . . 0.0 110.756 177.248 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' O ' HG23 ' A' ' 64' ' ' VAL . 31.7 tp10 -63.19 -53.96 45.07 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.252 175.106 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.68 -41.13 98.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.045 -176.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.614 HG22 ' HG2' ' A' ' 67' ' ' PRO . 42.4 pt -68.11 -29.16 43.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -174.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.479 ' HE3' ' HA ' ' A' ' 60' ' ' GLU . 21.7 pttp -82.13 -26.28 33.65 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 119.651 -0.819 . . . . 0.0 110.573 178.708 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 60' ' ' GLU . 61.8 t -80.69 -47.4 20.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.019 178.254 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -137.56 167.0 22.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.506 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.508 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 98.4 mtt180 -92.14 115.48 64.76 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.09 176.553 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.614 ' HG2' HG22 ' A' ' 62' ' ' ILE . 3.4 Cg_exo -75.02 7.63 2.79 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.407 2.738 . . . . 0.0 112.71 -176.421 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.6 mttp 69.87 -70.46 0.14 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.448 172.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' TYR . . . . . 0.512 ' HB2' ' HB1' ' A' ' 112' ' ' ALA . 2.8 m-85 -77.83 -56.68 4.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.067 0.46 . . . . 0.0 111.653 -171.451 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.449 HG21 HG23 ' A' ' 109' ' ' THR . 12.7 p -81.27 147.46 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.704 -171.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -112.05 159.57 18.35 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.747 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -67.44 -29.04 68.41 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.566 -173.046 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -64.4 -38.6 91.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.11 0.481 . . . . 0.0 110.359 176.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 78' ' ' VAL . 15.5 mm-40 -62.36 -43.58 98.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.575 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.476 HD13 ' HB1' ' A' ' 58' ' ' ALA . 63.0 mt -61.86 -41.35 90.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.801 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.411 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . 5.9 mm-40 -68.54 -37.01 79.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.14 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.81 -45.87 73.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.592 177.558 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.422 HG13 HG13 ' A' ' 106' ' ' VAL . 73.7 t -61.6 -35.58 68.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.209 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -52.64 -53.43 47.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.013 0.435 . . . . 0.0 111.34 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -75.13 -37.77 61.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -64.24 -31.71 73.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.14 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.446 ' HE2' ' HB3' ' A' ' 47' ' ' ASN . 79.8 t80 -64.85 -54.35 32.4 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LEU . . . . . 0.555 HD11 ' HA ' ' A' ' 48' ' ' ASP . 4.5 mm? -58.34 -42.5 86.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.594 177.062 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -56.9 -51.44 69.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.12 177.225 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.506 ' HA ' HE21 ' A' ' 88' ' ' GLN . 7.0 tt -57.06 -48.73 77.83 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.585 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 82' ' ' PHE . 76.3 t -57.97 -45.65 87.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.264 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.1 tp -69.09 -44.98 71.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.002 0.43 . . . . 0.0 111.415 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.506 HE21 ' HA ' ' A' ' 85' ' ' LEU . 24.9 pt20 -83.08 2.59 34.45 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -173.276 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.6 p -67.81 -27.99 67.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -90.4 -46.42 8.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.392 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.473 HG22 ' HA ' ' A' ' 88' ' ' GLN . 30.4 m -91.06 -33.22 5.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -171.238 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.8 m170 59.05 88.4 0.07 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 122.793 0.437 . . . . 0.0 111.012 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -112.8 8.05 18.67 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.284 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.54 HD13 ' HB2' ' A' ' 99' ' ' PHE . 2.0 pp -115.69 -177.53 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.796 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -99.43 145.53 27.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.892 175.8 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LYS . . . . . 0.438 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 22.2 ptmt -54.99 -33.13 62.3 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -173.262 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 97' ' ' LYS . 69.1 mmtt -67.96 -37.26 81.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.665 0.269 . . . . 0.0 111.453 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.561 ' NE ' ' HA ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -78.91 -31.76 45.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.525 -175.876 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.54 ' HB2' HD13 ' A' ' 94' ' ' ILE . 37.8 t80 -62.43 -34.04 75.98 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.096 0.474 . . . . 0.0 110.117 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -51.05 71.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.246 176.799 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -59.76 -42.32 92.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.164 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 98' ' ' ARG . 79.4 mt -57.82 -51.76 66.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.16 177.423 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.598 HG21 ' HB2' ' A' ' 21' ' ' ALA . 29.3 m -58.28 -47.57 83.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.687 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 108' ' ' TYR . 8.3 mm-40 -60.03 -41.54 92.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.881 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.3 m -68.13 -40.54 82.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.813 0.339 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 102' ' ' ILE . 95.9 t -66.69 -50.33 66.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.291 177.617 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 55.8 mt -59.17 -45.24 91.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.465 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' A' ' 104' ' ' GLU . 8.4 t80 -56.15 -42.18 76.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.15 0.5 . . . . 0.0 110.295 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.449 HG23 HG21 ' A' ' 70' ' ' VAL . 86.6 m -70.07 -46.08 65.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.969 178.737 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.625 ' HB3' HG12 ' A' ' 14' ' ' ILE . 95.4 mt -60.55 -41.95 95.56 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.196 -179.302 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -63.65 -36.67 84.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.101 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' ' 69' ' ' TYR . . . -67.09 -47.68 70.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.398 -178.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 81.9 t -62.9 -43.96 99.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.022 0.439 . . . . 0.0 110.099 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.432 ' HD2' ' C ' ' A' ' 114' ' ' LYS . 0.6 OUTLIER -54.31 -45.11 72.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.189 176.197 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -69.0 -42.05 76.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.554 -172.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -61.91 -41.21 97.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.867 0.365 . . . . 0.0 110.742 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 75.1 mt -62.3 -45.14 99.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 120.988 0.423 . . . . 0.0 110.65 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.42 -20.43 61.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.684 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -78.08 -26.95 48.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.905 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.843 174.349 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.3 tp . . . . . 0 N--CA 1.467 0.377 0 CA-C-O 120.862 0.363 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.423 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -67.74 -42.82 81.25 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -179.285 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.74 -43.16 98.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.424 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 68.0 mtp -56.53 -43.57 79.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.883 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.474 ' O ' HG13 ' A' ' 14' ' ' ILE . 22.8 m -71.01 -50.86 29.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.804 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -55.52 -36.4 66.69 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.477 ' O ' HG23 ' A' ' 16' ' ' VAL . 49.9 tt0 -61.31 -51.34 69.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 110.173 175.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 48.8 ttm -60.7 -38.99 86.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.825 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.58 HG12 ' HB3' ' A' ' 110' ' ' LEU . 67.1 mt -62.91 -49.32 84.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.684 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLU . . . . . 0.443 ' HG2' ' HE2' ' A' ' 19' ' ' LYS . 33.8 tt0 -65.52 -39.42 91.8 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.811 -177.151 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 12' ' ' GLN . 81.2 t -62.22 -42.45 95.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.446 0.165 . . . . 0.0 110.802 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.07 89.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.905 0.383 . . . . 0.0 110.627 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.65 -46.39 90.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.243 177.675 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HE2' ' HG2' ' A' ' 15' ' ' GLU . 51.7 mtmt -68.64 -30.63 69.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.196 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.05 -45.04 63.99 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.087 -0.577 . . . . 0.0 111.786 177.118 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.578 ' HB2' HG21 ' A' ' 103' ' ' THR . . . -68.22 -38.44 81.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.87 0.367 . . . . 0.0 110.326 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.16 -41.14 87.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.367 175.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -59.47 -46.89 87.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.615 176.544 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -64.71 -36.74 85.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.471 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.397 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.615 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 29.3 tptp . . . . . 0 CA--C 1.539 0.522 0 CA-C-O 119.409 -0.329 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.615 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 7.9 Cg_exo -72.24 -37.87 4.18 Favored 'Trans proline' 0 C--N 1.359 1.125 0 C-N-CA 121.553 1.502 . . . . 0.0 111.948 -178.573 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.66 -43.14 66.59 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.394 -176.698 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.1 t -57.84 -50.67 76.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.036 -176.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -64.42 -45.53 87.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 6.1 tm-20 -54.46 -59.03 5.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.364 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -63.64 -36.42 83.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.724 -175.606 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.61 -49.88 67.11 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.785 0.326 . . . . 0.0 110.647 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -62.15 -41.64 98.47 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.296 0.569 . . . . 0.0 110.321 176.411 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 6.0 tp -59.62 -53.59 56.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.854 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.498 ' HB1' ' HG2' ' A' ' 79' ' ' LYS . . . -60.62 -38.31 84.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.465 -177.039 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.76 -53.73 53.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.851 0.358 . . . . 0.0 110.643 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.65 -33.52 75.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.117 -178.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -66.86 -45.78 77.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.221 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.61 -46.99 88.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.439 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -60.4 -36.1 77.31 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.269 178.137 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.72 -47.74 31.9 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.33 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.55 -47.17 85.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.813 0.34 . . . . 0.0 111.043 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.515 HD23 HD11 ' A' ' 62' ' ' ILE . 51.6 mt -61.37 -36.23 79.65 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.202 179.299 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.597 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 32.4 tp10 -56.93 -51.57 68.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.874 176.764 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.94 -39.93 87.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -175.676 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.628 HG22 ' HB3' ' A' ' 67' ' ' PRO . 40.3 pt -73.16 -22.92 19.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.343 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.597 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -83.16 -23.31 32.98 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.17 174.847 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 60' ' ' GLU . 88.1 t -78.81 -60.39 2.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.707 175.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -109.71 168.82 9.13 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -78.54 118.12 70.46 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.628 ' HB3' HG22 ' A' ' 62' ' ' ILE . 60.6 Cg_endo -72.97 158.22 50.07 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.875 2.383 . . . . 0.0 112.577 -177.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LYS . . . . . 0.497 ' HD2' ' N ' ' A' ' 68' ' ' LYS . 5.5 mptt -111.34 119.82 40.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.324 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 72.39 -49.05 0.69 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.637 0.775 . . . . 0.0 111.977 177.538 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.521 HG21 HG22 ' A' ' 113' ' ' VAL . 7.6 p -69.92 141.94 16.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.21 0.528 . . . . 0.0 111.089 -178.476 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -127.19 162.43 26.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.101 -0.704 . . . . 0.0 109.101 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.728 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -64.48 -39.07 93.11 Favored 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.099 -176.57 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -56.26 -34.38 66.34 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.28 0.562 . . . . 0.0 110.329 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLN . . . . . 0.442 ' O ' HG23 ' A' ' 78' ' ' VAL . 73.8 mm-40 -68.43 -47.86 66.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.397 -179.082 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.33 -39.46 85.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.265 -177.668 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLU . . . . . 0.728 ' HG2' ' O ' ' A' ' 72' ' ' LYS . 61.5 mm-40 -60.87 -42.48 97.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.455 -177.571 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.18 -46.96 38.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.398 -177.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.533 HG13 HG13 ' A' ' 106' ' ' VAL . 55.2 t -54.46 -37.87 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.769 -176.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.498 ' HG2' ' HB1' ' A' ' 51' ' ' ALA . 13.7 tmtt? -56.33 -54.15 48.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.426 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ASP . . . . . 0.424 ' N ' ' HD3' ' A' ' 79' ' ' LYS . 4.3 m-20 -78.02 -35.3 50.01 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.303 -176.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASN . . . . . 0.449 ' HB3' HG23 ' A' ' 102' ' ' ILE . 6.4 m-20 -56.05 -43.09 77.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.475 175.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -59.54 -46.3 89.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.87 -48.14 72.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.221 -177.03 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.51 -32.53 73.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.756 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.589 HD12 HG22 ' A' ' 102' ' ' ILE . 5.7 tt -58.49 -51.47 69.75 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.021 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 65.6 t -59.31 -45.23 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.405 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.3 tp -59.94 -53.9 52.46 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.441 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLN . . . . . 0.455 HE21 ' HB3' ' A' ' 88' ' ' GLN . 2.7 pt20 -67.25 -19.44 65.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.523 -175.351 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.4 m -64.66 -40.59 95.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 110.713 176.274 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -84.41 -48.32 9.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.314 -176.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' VAL . . . . . 0.43 HG23 ' H ' ' A' ' 93' ' ' HIS . 33.9 m -75.46 -17.53 15.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.534 -176.623 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 36.3 m80 62.72 33.51 15.43 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.259 0.552 . . . . 0.0 110.849 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' HIS . . . . . 0.43 ' H ' HG23 ' A' ' 91' ' ' VAL . 79.0 t60 -92.81 46.43 1.23 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.806 0.813 . . . . 0.0 109.695 -178.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.755 HG12 ' HB2' ' A' ' 99' ' ' PHE . 10.1 tp -143.5 152.24 16.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.263 -177.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -84.92 -93.4 0.08 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.908 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -143.99 -80.64 0.19 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.828 0.347 . . . . 0.0 111.702 -177.597 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 97' ' ' LYS . 37.9 ttmt -61.65 -39.13 90.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.28 -171.275 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.488 ' O ' HG13 ' A' ' 102' ' ' ILE . 50.8 mtm180 -65.1 -26.86 68.4 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.022 -177.518 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' PHE . . . . . 0.755 ' HB2' HG12 ' A' ' 94' ' ' ILE . 76.2 t80 -68.9 -49.7 55.9 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.295 0.569 . . . . 0.0 109.609 176.402 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 63.5 tttp -62.28 -44.74 95.84 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.219 179.197 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -56.82 -43.5 81.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.486 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.589 HG22 HD12 ' A' ' 85' ' ' LEU . 71.3 mt -60.43 -42.77 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.199 175.272 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' THR . . . . . 0.578 HG21 ' HB2' ' A' ' 21' ' ' ALA . 23.1 m -62.04 -47.42 84.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.232 0.539 . . . . 0.0 110.469 177.077 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 100' ' ' LYS . 33.3 mm-40 -60.75 -49.49 77.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.491 -177.515 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.8 p -61.1 -39.53 90.33 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.765 0.317 . . . . 0.0 111.34 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.533 HG13 HG13 ' A' ' 78' ' ' VAL . 77.4 t -65.13 -56.57 14.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.439 176.584 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 48.1 mt -56.83 -42.2 79.2 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.917 -178.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -57.45 -50.66 72.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.519 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.482 ' HB ' HG21 ' A' ' 78' ' ' VAL . 25.2 m -70.54 -38.98 74.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.216 -178.219 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.58 ' HB3' HG12 ' A' ' 14' ' ' ILE . 71.1 mt -56.38 -43.16 78.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.724 0.297 . . . . 0.0 111.137 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -65.0 -35.73 82.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.153 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.2 -37.02 75.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.997 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.521 HG22 HG21 ' A' ' 70' ' ' VAL . 48.3 t -77.48 -46.63 27.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.229 -178.618 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -56.75 -38.34 72.3 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.583 -178.063 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.02 -46.97 82.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.837 -178.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -67.15 -40.01 86.63 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.491 0.186 . . . . 0.0 111.411 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 113' ' ' VAL . 80.6 mt -57.34 -46.55 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.037 0.446 . . . . 0.0 110.474 178.034 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.18 -27.74 61.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.785 178.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -66.11 -53.58 36.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.205 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.461 -177.679 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.502 HD13 ' HA3' ' A' ' 57' ' ' GLY . 43.5 tp . . . . . 0 CA--C 1.53 0.173 0 CA-C-O 121.573 0.702 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.1 tp -77.63 -53.02 8.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.62 -171.484 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -39.22 93.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 111.805 -175.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' MET . . . . . 0.411 ' HE3' ' HA ' ' A' ' 6' ' ' LEU . 62.7 mtm -59.62 -39.55 84.63 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.634 176.055 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.521 ' O ' HG13 ' A' ' 14' ' ' ILE . 58.4 m -68.22 -45.53 73.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.286 175.586 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -55.0 -47.4 74.69 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.448 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLN . . . . . 0.453 ' O ' HG23 ' A' ' 16' ' ' VAL . 53.0 tt0 -64.55 -41.61 96.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.377 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' MET . . . . . 0.429 ' HE1' ' HA ' ' A' ' 51' ' ' ALA . 48.3 ttm -63.11 -40.84 98.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.806 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 10' ' ' THR . 74.9 mt -60.97 -46.38 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.078 0.466 . . . . 0.0 110.425 177.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.3 -46.15 88.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.774 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 12' ' ' GLN . 92.6 t -61.66 -42.62 94.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.172 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.48 -48.87 73.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.835 0.35 . . . . 0.0 110.709 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.51 -47.62 83.53 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.47 178.573 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -75.76 -24.68 56.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.5 -177.699 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.54 -44.96 95.81 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 172.858 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -63.89 -43.76 95.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.975 0.417 . . . . 0.0 110.28 175.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -61.5 -37.44 83.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.177 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -68.73 -39.37 80.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.971 0.415 . . . . 0.0 110.18 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.513 ' HE1' ' HB3' ' A' ' 92' ' ' HIS . 45.5 t80 -64.39 -37.32 87.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.671 175.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 93.5 mt-30 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.248 176.709 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.556 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 28.2 ttpp . . . . . 0 CA--C 1.538 0.485 0 CA-C-O 119.569 -0.253 . . . . 0.0 111.41 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.556 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 44.4 Cg_endo -67.18 -45.62 3.71 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.768 1.645 . . . . 0.0 112.984 -173.2 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.64 -38.66 85.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.83 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 42.6 t -62.25 -48.46 88.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.742 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -61.77 -44.73 96.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.327 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.16 -52.3 66.13 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.017 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . 0.447 HD22 ' N ' ' A' ' 47' ' ' ASN . 0.9 OUTLIER -66.99 -32.85 74.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.372 -176.372 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -55.31 -56.3 21.68 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.943 177.393 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 53' ' ' ARG . 21.9 mt-10 -72.91 -31.32 64.57 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.279 178.727 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.1 tp -57.24 -51.52 69.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.148 0.499 . . . . 0.0 110.162 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.825 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -68.57 -36.36 78.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.445 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.86 -49.66 69.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.735 0.302 . . . . 0.0 110.859 178.879 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -58.81 -44.8 90.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.45 178.06 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -60.25 -49.65 76.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.69 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.87 -41.68 92.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.119 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.02 -46.92 86.99 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 120.968 0.413 . . . . 0.0 110.995 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.502 ' HA3' HD13 ' A' ' 6' ' ' LEU . . . -69.36 -36.14 77.65 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.266 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.18 -40.75 86.61 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.803 0.335 . . . . 0.0 111.092 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.423 HD23 HD11 ' A' ' 62' ' ' ILE . 52.5 mt -63.72 -36.02 82.49 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.109 0.481 . . . . 0.0 110.546 176.693 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -63.79 -45.36 90.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.137 172.554 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.39 -48.21 82.73 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.245 -177.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ILE . . . . . 0.423 HD11 HD23 ' A' ' 59' ' ' LEU . 38.2 pt -73.09 -8.78 12.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -175.837 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -82.09 -48.14 11.72 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 176.199 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.2 t -85.22 -44.23 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.326 -176.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.535 ' HD3' ' OE2' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -101.53 141.4 34.46 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.63 -175.011 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -68.23 119.64 69.08 Favored Pre-proline 0 C--O 1.235 0.324 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.617 172.766 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -74.23 107.76 2.51 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 123.057 2.505 . . . . 0.0 111.036 176.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -110.16 -36.79 5.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.656 -174.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -102.02 -39.02 7.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.397 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.411 HG21 HG22 ' A' ' 113' ' ' VAL . 12.3 p -92.41 158.93 2.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.624 174.226 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -136.19 158.76 43.65 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -57.77 -49.15 77.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.13 -177.696 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.21 -39.22 75.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.074 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -63.17 -34.68 78.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.908 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.1 mm -62.81 -44.63 99.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.897 0.379 . . . . 0.0 111.108 -177.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -70.66 -41.34 72.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.063 0.459 . . . . 0.0 109.868 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.06 -45.15 93.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.623 -178.535 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.493 HG13 HG13 ' A' ' 106' ' ' VAL . 76.8 t -68.58 -41.0 82.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 121.168 -0.213 . . . . 0.0 111.424 -177.298 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LYS . . . . . 0.825 ' HG3' ' HB1' ' A' ' 51' ' ' ALA . 86.6 tttt -57.41 -44.3 84.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.232 0.539 . . . . 0.0 110.19 177.461 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.52 -51.36 51.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.017 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -65.08 -28.9 69.77 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.666 -177.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PHE . . . . . 0.406 ' O ' HG23 ' A' ' 86' ' ' VAL . 58.6 t80 -65.47 -50.89 63.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.885 0.374 . . . . 0.0 110.087 177.233 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.65 -35.09 79.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.459 177.371 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -60.34 -50.16 74.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.18 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.03 -48.53 73.29 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.485 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 82' ' ' PHE . 58.5 t -59.43 -45.27 93.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.906 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.4 tp -65.09 -48.06 75.03 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.009 0.433 . . . . 0.0 111.035 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -71.74 -15.78 62.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -69.7 -33.55 72.68 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -76.05 -53.39 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.26 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.2 m -85.37 -33.83 8.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.602 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' HIS . . . . . 0.513 ' HB3' ' HE1' ' A' ' 24' ' ' TYR . 18.2 p80 37.05 81.48 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.264 1.025 . . . . 0.0 113.601 -177.759 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -102.07 -0.33 33.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.146 0.498 . . . . 0.0 110.232 173.182 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 34.7 pt -91.12 158.03 2.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 173.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -83.05 -69.7 0.61 Allowed 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.27 -177.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -164.85 -43.57 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.336 -172.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -61.65 -43.37 98.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.105 -172.592 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -64.77 -34.42 78.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.622 0.249 . . . . 0.0 111.237 -179.095 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -64.5 -37.07 86.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.141 -174.729 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -62.2 -52.16 64.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.316 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -57.91 -45.57 86.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.315 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 77.2 mt -57.13 -50.32 76.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.307 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.2 m -58.42 -45.44 88.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.428 178.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -60.32 -50.31 74.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.579 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.2 t -62.3 -42.75 99.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.142 -176.541 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.606 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 98.0 t -66.73 -56.95 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.651 179.312 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.85 -45.37 82.45 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.88 -177.358 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -57.35 -45.88 83.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.81 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' THR . . . . . 0.468 ' HB ' HG21 ' A' ' 78' ' ' VAL . 25.8 m -69.59 -37.9 77.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 83.3 mt -58.49 -44.55 89.43 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.674 0.273 . . . . 0.0 110.472 177.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -64.99 -34.35 78.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.685 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.47 -41.91 92.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.411 HG22 HG21 ' A' ' 70' ' ' VAL . 55.2 t -72.06 -47.98 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.126 0.489 . . . . 0.0 109.84 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' LYS . . . . . 0.436 ' HD3' ' C ' ' A' ' 114' ' ' LYS . 1.3 tmtp? -59.33 -42.91 92.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.375 -178.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -63.53 -47.59 80.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.273 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 21.4 mt-10 -61.57 -45.73 92.88 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 121.221 -0.192 . . . . 0.0 110.924 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 113' ' ' VAL . 84.1 mt -57.44 -50.33 77.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.957 0.408 . . . . 0.0 110.92 177.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.43 -11.76 60.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.574 -177.593 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -92.85 -53.04 4.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.188 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.535 ' OE2' ' HD3' ' A' ' 65' ' ' ARG . 5.2 mm-40 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.741 -176.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.3 mtm . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.792 0.329 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 49.3 tp -103.51 92.12 4.33 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 171.799 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -129.13 131.1 47.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.725 -170.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -90.21 82.09 6.05 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 170.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.7 p -54.16 -59.05 5.17 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -169.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.0 tp -62.74 -30.12 71.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.045 0.45 . . . . 0.0 111.115 -176.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.646 HD21 ' HG2' ' A' ' 114' ' ' LYS . 1.7 tm? -72.45 -47.92 45.08 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.59 -39.58 88.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.59 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 77.1 mtp -57.59 -44.03 85.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.425 175.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.449 ' O ' HG13 ' A' ' 14' ' ' ILE . 30.9 m -66.21 -49.39 67.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.618 178.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -52.99 -41.15 64.33 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 111.443 175.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.413 ' O ' HG23 ' A' ' 16' ' ' VAL . 52.7 tp60 -63.2 -46.17 88.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.687 177.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 90.1 mtp -63.11 -34.36 77.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.973 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 10' ' ' THR . 83.8 mt -61.98 -42.55 95.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.489 176.147 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -66.6 -43.07 85.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.634 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.565 ' HB ' ' HZ ' ' A' ' 82' ' ' PHE . 58.5 t -61.41 -42.4 93.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.561 0.219 . . . . 0.0 110.624 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.69 -51.38 70.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.792 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -65.48 -32.94 74.82 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.723 178.11 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -63.63 -45.68 89.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.583 0.23 . . . . 0.0 110.701 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.24 -41.08 96.99 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.845 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.421 ' HA ' ' HE2' ' A' ' 99' ' ' PHE . . . -65.39 -42.12 92.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.384 . . . . 0.0 110.586 177.5 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -66.16 -38.95 89.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.597 177.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -57.52 -47.47 81.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.433 -179.636 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -75.46 -33.7 60.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.949 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.8 tt0 -57.71 -53.01 62.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.305 -178.275 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.85 -41.4 19.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.34 -177.811 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -44.87 85.11 0.01 OUTLIER Glycine 0 C--N 1.344 0.973 0 O-C-N 124.645 1.216 . . . . 0.0 114.705 -171.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.7 tttt 169.81 -34.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -78.88 -54.2 6.3 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.392 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 m -86.55 152.0 23.0 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.876 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -69.23 107.54 3.28 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 174.173 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -111.79 97.99 7.08 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.388 0.613 . . . . 0.0 111.065 -174.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.9 p -102.7 123.78 47.02 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.584 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -145.81 159.12 43.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.384 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -120.9 136.2 55.0 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.585 ' HA ' HD12 ' A' ' 40' ' ' ILE . 58.4 t80 -84.93 75.5 10.36 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.579 -177.531 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 54.3 t80 -173.33 -52.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.351 175.648 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -64.18 -73.76 0.11 Allowed 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -172.419 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.6 t -83.05 -14.29 54.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.93 0.395 . . . . 0.0 111.78 -172.672 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.585 HD12 ' HA ' ' A' ' 36' ' ' PHE . 46.1 mt -89.79 -24.94 5.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.421 -175.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.499 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 28.5 tptp -56.61 -54.95 48.14 Favored Pre-proline 0 CA--C 1.537 0.468 0 CA-C-N 116.876 -0.147 . . . . 0.0 111.241 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.616 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 44.0 Cg_endo -69.41 -34.52 15.56 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.84 1.693 . . . . 0.0 112.278 177.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.29 -38.98 74.79 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.484 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 40' ' ' ILE . 86.4 t -63.65 -45.91 96.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.425 177.14 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -60.94 -45.08 96.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.481 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.616 ' HG2' ' O ' ' A' ' 42' ' ' PRO . 5.6 mm-40 -55.62 -57.2 12.97 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -63.03 -39.0 93.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.56 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.32 -50.14 74.67 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.823 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.83 -40.51 88.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.151 176.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.8 tp -58.19 -53.78 54.46 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.926 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.673 ' HB1' ' HG2' ' A' ' 79' ' ' LYS . . . -62.16 -42.02 98.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.966 -178.145 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.73 99.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.994 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -71.79 -42.61 66.9 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.769 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 81.2 t90 -62.19 -47.62 83.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.773 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.47 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.77 -45.84 85.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.987 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.26 -44.35 60.02 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.734 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.99 99.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.721 0.296 . . . . 0.0 111.036 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.1 mt -61.15 -36.41 79.73 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.935 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -67.35 -46.85 72.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.924 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.62 -46.58 88.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.828 -177.148 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.804 ' HB ' ' HD3' ' A' ' 67' ' ' PRO . 40.5 pt -71.64 -17.61 19.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 111.19 -178.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -81.13 -40.73 23.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 175.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 77.3 t -68.49 -52.38 37.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.903 0.383 . . . . 0.0 110.319 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.507 ' HA ' ' HE ' ' A' ' 65' ' ' ARG . 0.3 OUTLIER -87.27 -106.14 0.07 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.774 178.682 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.735 ' HA ' ' HE ' ' A' ' 66' ' ' ARG . 0.1 OUTLIER 172.91 123.69 0.08 OUTLIER Pre-proline 0 C--N 1.332 -0.191 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.215 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.804 ' HD3' ' HB ' ' A' ' 62' ' ' ILE . 24.7 Cg_endo -63.37 103.05 0.35 Allowed 'Trans proline' 0 C--O 1.238 0.486 0 C-N-CA 122.326 2.018 . . . . 0.0 111.91 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -93.23 -53.26 4.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.792 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -96.89 -37.96 10.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.466 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.6 p -79.31 152.29 4.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.024 0.44 . . . . 0.0 110.524 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 50.8 t-80 -107.67 132.37 53.4 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -58.15 -48.94 78.72 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.594 0.235 . . . . 0.0 111.261 -174.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -52.54 -37.52 57.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.877 175.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -67.45 -37.41 82.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.13 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.463 HD12 HD13 ' A' ' 62' ' ' ILE . 71.4 mt -63.28 -45.31 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.116 0.484 . . . . 0.0 109.941 176.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -66.75 -34.93 78.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.426 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.76 -46.82 43.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.406 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 82' ' ' PHE . 40.7 t -57.97 -40.39 76.36 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.336 0 CA-C-N 116.827 -0.17 . . . . 0.0 111.381 -178.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.673 ' HG2' ' HB1' ' A' ' 51' ' ' ALA . 13.3 tmtt? -53.99 -49.06 69.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.322 0.582 . . . . 0.0 110.912 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -76.43 -45.91 29.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.441 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -64.21 -31.64 72.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.19 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.565 ' HZ ' ' HB ' ' A' ' 16' ' ' VAL . 44.1 t80 -64.56 -39.09 93.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.797 0.332 . . . . 0.0 110.347 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 65.4 mt -64.78 -42.96 94.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.643 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.38 -30.48 67.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.829 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.457 HD12 HG22 ' A' ' 102' ' ' ILE . 6.6 tt -60.31 -53.16 60.94 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 177.317 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.4 t -59.04 -43.07 88.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.456 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.511 ' O ' HG22 ' A' ' 91' ' ' VAL . 58.1 tp -58.9 -58.85 6.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.873 179.153 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.435 ' HB3' ' HB ' ' A' ' 94' ' ' ILE . 2.5 mp0 -62.75 -27.37 69.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.026 -176.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.4 t -61.72 -44.16 97.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.936 0.398 . . . . 0.0 110.932 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -90.43 -37.95 13.6 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -175.568 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 87' ' ' LEU . 21.2 m -81.29 -16.09 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.568 -177.461 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 57.3 m170 65.26 26.56 12.21 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 122.797 0.439 . . . . 0.0 111.543 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.473 ' H ' HG23 ' A' ' 91' ' ' VAL . 77.0 t60 -76.26 -12.74 60.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.172 0.511 . . . . 0.0 110.362 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.76 HG12 ' HB2' ' A' ' 99' ' ' PHE . 10.1 tp -84.49 151.39 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.675 178.103 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -87.28 -76.96 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.135 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -153.76 -76.07 0.12 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.992 0.425 . . . . 0.0 112.047 -176.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -64.35 -36.75 85.14 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -167.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -68.64 -29.65 68.19 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.607 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.76 ' HB2' HG12 ' A' ' 94' ' ' ILE . 47.7 t80 -66.77 -46.79 74.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.159 0.504 . . . . 0.0 110.21 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -73.2 -29.01 62.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.204 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -68.12 -48.94 64.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.253 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.471 ' O ' HG23 ' A' ' 106' ' ' VAL . 80.6 mt -59.86 -46.72 93.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.219 176.501 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 38.4 m -57.97 -44.62 87.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 110.584 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -61.53 -45.13 95.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.585 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.7 m -63.47 -38.91 92.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.625 0.25 . . . . 0.0 111.081 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 102' ' ' ILE . 72.3 t -65.29 -52.03 57.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.415 177.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 88.7 mt -57.37 -43.94 83.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.948 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -54.97 -54.32 44.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.982 175.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.504 ' O ' HG23 ' A' ' 113' ' ' VAL . 46.7 m -63.13 -44.87 94.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.408 -177.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.445 HD22 HG23 ' A' ' 10' ' ' THR . 86.8 mt -61.01 -38.62 86.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.247 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -64.8 -37.0 86.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.833 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.7 -40.73 76.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.523 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.544 ' O ' HG13 ' A' ' 117' ' ' ILE . 61.9 t -68.33 -43.16 84.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.195 0.522 . . . . 0.0 109.616 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.646 ' HG2' HD21 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -54.42 -40.29 68.14 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.55 179.569 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 119' ' ' ARG . 22.3 t70 -65.38 -51.82 57.79 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.85 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -69.9 -26.79 64.33 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -174.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 113' ' ' VAL . 75.2 mt -63.13 -50.7 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.133 0.492 . . . . 0.0 110.004 172.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.47 -18.76 60.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.503 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 115' ' ' ASP . 13.2 ttt85 -72.13 -31.15 65.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.27 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -84.29 -43.21 15.04 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 171.548 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 35.5 t70 73.04 123.98 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.188 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.4 p -89.88 151.32 21.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.872 -173.718 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 . . . . . 0 C--N 1.325 -0.462 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 174.109 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 111.341 0.126 . . . . 0.0 111.341 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.445 HD23 ' N ' ' A' ' 3' ' ' SER . 3.4 tt -63.78 127.11 29.94 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.1 0.476 . . . . 0.0 109.896 -177.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.537 ' HB3' ' HA ' ' A' ' 8' ' ' GLU . 14.8 m -76.55 86.51 3.25 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.35 -177.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -143.53 177.23 8.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.529 174.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.411 ' HB ' ' H ' ' A' ' 6' ' ' LEU . 4.9 m 62.34 -98.52 0.08 Allowed 'General case' 0 CA--C 1.535 0.371 0 O-C-N 123.514 0.509 . . . . 0.0 111.013 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.411 ' H ' ' HB ' ' A' ' 5' ' ' THR . 43.6 tp -120.95 -6.32 9.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.609 0.719 . . . . 0.0 109.171 177.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -45.23 70.24 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.011 -176.326 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.537 ' HA ' ' HB3' ' A' ' 3' ' ' SER . 3.5 tm-20 -57.05 -50.49 72.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.975 0.416 . . . . 0.0 110.364 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 57.4 mtp -59.13 -34.96 72.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.123 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.501 ' O ' HG13 ' A' ' 14' ' ' ILE . 30.8 m -72.96 -49.07 31.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.27 176.669 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -54.54 -42.13 70.56 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.625 177.398 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.411 ' O ' HG23 ' A' ' 16' ' ' VAL . 7.0 tm0? -63.17 -44.96 93.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.857 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.461 ' SD ' HD21 ' A' ' 110' ' ' LEU . 50.9 ttm -61.77 -39.3 91.18 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.628 177.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 10' ' ' THR . 66.1 mt -63.68 -43.82 98.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 120.94 0.4 . . . . 0.0 110.594 176.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.23 -46.01 91.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.009 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 12' ' ' GLN . 70.5 t -62.84 -41.86 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.724 178.626 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.51 -52.03 66.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.863 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -55.55 -54.99 37.1 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.443 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.58 ' HA ' ' HB3' ' A' ' 22' ' ' ASP . 2.3 mptp? -70.64 -20.58 62.71 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -174.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.42 -48.44 44.64 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.239 -0.981 . . . . 0.0 111.213 174.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.404 ' HA ' ' HE1' ' A' ' 99' ' ' PHE . . . -67.63 -35.33 78.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.106 0.479 . . . . 0.0 109.918 175.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.58 ' HB3' ' HA ' ' A' ' 19' ' ' LYS . 23.3 t70 -58.0 -46.9 84.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.602 175.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -70.21 -35.0 73.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.517 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -66.73 -35.93 81.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.146 0.498 . . . . 0.0 109.946 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -64.91 -45.46 85.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.097 176.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -64.77 -57.36 9.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.232 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.87 -114.24 3.53 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.185 176.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -116.54 -36.96 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -174.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.5 t30 65.61 -78.96 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.823 0.702 . . . . 0.0 109.974 -172.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.8 t -165.8 122.0 1.34 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -79.33 88.03 4.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.971 0.415 . . . . 0.0 110.133 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -106.88 87.56 2.54 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 175.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.3 m 63.33 94.29 0.05 Allowed 'General case' 0 CA--C 1.532 0.272 0 O-C-N 123.799 0.687 . . . . 0.0 111.089 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -156.52 129.57 7.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.437 -175.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -146.49 155.14 42.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.309 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.49 ' HA ' HD12 ' A' ' 40' ' ' ILE . 60.0 t80 -71.43 -48.19 51.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.209 -177.563 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -79.38 -16.47 56.17 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -170.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -79.53 -30.21 41.75 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -177.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.417 HG23 HG13 ' A' ' 40' ' ' ILE . 11.3 t -131.21 -25.61 2.2 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -175.242 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 36' ' ' PHE . 26.6 mt -95.11 -4.3 10.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.339 0.59 . . . . 0.0 110.841 -173.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.468 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 25.6 ttpp -53.03 -55.34 34.62 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.484 -178.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.468 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 57.8 Cg_endo -72.01 -16.31 28.99 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.884 1.723 . . . . 0.0 112.885 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.35 -34.43 68.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.008 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.2 t -63.52 -36.26 75.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.391 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -65.84 -48.63 71.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.636 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -54.86 -59.74 4.31 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.835 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -59.79 -36.09 75.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.004 -175.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.536 ' HA ' HD21 ' A' ' 83' ' ' LEU . 30.2 t70 -64.87 -52.16 58.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.505 0.193 . . . . 0.0 110.775 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -61.87 -39.16 90.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.061 0.458 . . . . 0.0 110.767 176.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 tp -59.28 -53.24 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.488 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.37 -38.17 90.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.071 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.519 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . . . -61.39 -54.64 41.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -33.32 74.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.416 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -62.12 -50.62 71.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.493 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.35 -44.5 97.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -60.2 -42.53 95.3 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.13 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.92 -42.36 85.91 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.103 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.25 97.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.782 0.325 . . . . 0.0 110.851 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.452 HD23 HD11 ' A' ' 62' ' ' ILE . 71.5 mt -61.78 -41.18 97.39 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.632 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 10.3 tp10 -60.83 -44.16 97.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.36 0.6 . . . . 0.0 110.501 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.54 -45.64 82.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.586 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.722 ' HB ' ' HD3' ' A' ' 67' ' ' PRO . 44.4 pt -74.91 -20.09 16.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -174.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.632 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -79.9 -28.28 39.85 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.912 176.517 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.4 t -79.62 -49.72 19.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.205 0.526 . . . . 0.0 110.131 173.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.543 ' O ' ' HA ' ' A' ' 62' ' ' ILE . 37.8 mtp85 -126.79 121.06 30.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.794 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 66' ' ' ARG . 48.2 mtt-85 -52.44 139.97 36.73 Favored Pre-proline 0 C--O 1.236 0.346 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.696 -171.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.722 ' HD3' ' HB ' ' A' ' 62' ' ' ILE . 42.3 Cg_endo -68.38 119.37 6.37 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.871 2.381 . . . . 0.0 111.205 174.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -93.78 -64.57 1.07 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.746 -173.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -80.62 -53.15 6.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.013 0.435 . . . . 0.0 110.886 177.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.567 ' O ' ' HB2' ' A' ' 67' ' ' PRO . 14.8 p -78.29 150.97 5.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.246 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -114.77 154.55 28.34 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -64.85 -33.59 76.36 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -54.42 -44.14 72.13 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.09 174.485 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.406 ' O ' HG23 ' A' ' 78' ' ' VAL . 83.6 mm-40 -67.77 -44.02 78.43 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.771 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.12 -42.56 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.816 0.341 . . . . 0.0 111.11 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -71.1 -33.59 70.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 0.0 110.737 -178.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.41 -43.58 39.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.585 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.424 HG21 HG21 ' A' ' 109' ' ' THR . 50.7 t -62.41 -35.15 68.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 -176.041 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.519 ' HE3' ' HA ' ' A' ' 52' ' ' ALA . 78.0 tttt -57.37 -47.56 81.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.073 0.464 . . . . 0.0 110.11 176.278 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.59 -43.44 84.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.353 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.478 ' O ' ' HB2' ' A' ' 85' ' ' LEU . 91.0 m-20 -62.99 -34.58 77.84 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.262 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.428 ' CE1' ' HG3' ' A' ' 13' ' ' MET . 51.5 t80 -66.99 -50.02 63.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.604 0.24 . . . . 0.0 110.788 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.536 HD21 ' HA ' ' A' ' 48' ' ' ASP . 79.3 mt -63.63 -39.53 94.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.783 0.325 . . . . 0.0 110.389 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 5.8 mm-40 -62.75 -42.86 99.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.718 174.861 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.533 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -57.92 -43.69 86.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.36 -178.841 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 82' ' ' PHE . 88.1 t -57.01 -49.36 79.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.509 177.412 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.526 ' O ' HG22 ' A' ' 91' ' ' VAL . 45.2 tp -67.21 -45.58 76.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.422 -177.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.533 ' HG2' ' HA ' ' A' ' 85' ' ' LEU . 20.5 pt20 -67.66 -21.2 65.37 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -175.799 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 67.3 m -71.27 -23.91 62.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.607 0.241 . . . . 0.0 111.164 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -101.33 -57.86 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.425 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 87' ' ' LEU . 33.3 m -76.27 -17.83 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.735 0.302 . . . . 0.0 111.647 -175.531 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 30.7 m170 57.82 43.12 22.24 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.006 175.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -80.53 26.11 0.4 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.129 0.49 . . . . 0.0 111.296 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.468 HG22 ' HB2' ' A' ' 88' ' ' GLN . 18.2 tt -154.81 152.25 9.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -178.696 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -100.58 171.38 7.76 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.839 -175.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -47.76 -54.74 11.36 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.88 -171.118 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -60.87 -43.63 98.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.568 -169.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.423 ' HD2' HH11 ' A' ' 98' ' ' ARG . 27.8 mtp85 -79.06 -31.77 44.58 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.496 -178.385 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.404 ' HE1' ' HA ' ' A' ' 21' ' ' ALA . 49.2 t80 -61.74 -47.84 83.44 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.23 0.538 . . . . 0.0 110.39 178.772 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -65.01 -41.2 95.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.436 -177.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -68.71 -39.04 80.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.993 -177.228 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.475 ' O ' HG23 ' A' ' 106' ' ' VAL . 43.1 mt -61.25 -44.99 99.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.033 174.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 28.2 m -57.66 -46.03 84.76 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.414 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -56.19 -49.14 74.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.304 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.5 m -59.16 -41.14 87.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.226 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 102' ' ' ILE . 69.9 t -67.6 -50.0 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.378 178.059 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 67.0 mt -58.77 -43.92 90.49 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.354 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -53.68 -52.34 60.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.972 0.415 . . . . 0.0 110.726 176.369 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.424 HG21 HG21 ' A' ' 78' ' ' VAL . 32.1 m -63.41 -42.58 98.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.31 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.501 HD13 HG12 ' A' ' 14' ' ' ILE . 91.9 mt -61.93 -37.47 84.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.581 -178.021 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 57.9 m170 -64.77 -41.62 95.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.141 0.496 . . . . 0.0 109.887 177.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.57 92.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.592 -177.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.577 ' O ' HG13 ' A' ' 117' ' ' ILE . 99.8 t -69.57 -45.78 77.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.932 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -56.92 -49.03 76.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.515 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.89 -37.5 86.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.976 -177.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.676 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 18.2 mm-40 -63.57 -43.46 96.94 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.819 177.129 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 113' ' ' VAL . 86.7 mt -55.02 -51.89 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 110.875 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.24 -27.51 65.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.018 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -68.73 -51.56 40.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.932 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.676 ' HG2' ' O ' ' A' ' 116' ' ' GLU . 3.3 mm-40 -65.95 -38.06 87.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.69 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 38.9 t70 72.36 135.81 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.631 171.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.0 t -164.13 98.7 0.84 Allowed 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.206 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 121.32 0.581 . . . . 0.0 109.721 177.311 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptm . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.596 0.236 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 61.6 tp -75.22 116.67 16.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.985 0.421 . . . . 0.0 110.912 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 p -107.18 148.45 28.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.585 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.445 ' HG3' HD23 ' A' ' 7' ' ' LEU . 2.3 mp0 56.93 80.04 0.17 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.169 0.509 . . . . 0.0 111.324 -178.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 p -70.85 -44.3 66.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.093 -175.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.8 tp -131.75 -15.39 3.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.989 0.423 . . . . 0.0 110.337 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.445 HD23 ' HG3' ' A' ' 4' ' ' GLN . 54.8 tp -57.64 -53.54 56.97 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.489 -177.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -65.02 -36.57 84.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.622 0.249 . . . . 0.0 110.92 -177.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 81.5 mtp -59.55 -43.51 93.53 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.078 0.466 . . . . 0.0 110.556 178.075 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.492 ' O ' HG13 ' A' ' 14' ' ' ILE . 23.9 m -67.57 -47.4 69.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.462 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -56.28 -46.27 79.8 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.199 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.473 ' O ' HG23 ' A' ' 16' ' ' VAL . 64.8 tt0 -63.74 -41.41 98.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 49.9 ttm -62.16 -39.44 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.317 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 10' ' ' THR . 77.2 mt -59.75 -50.94 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.175 175.633 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.02 -46.8 87.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.243 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 12' ' ' GLN . 93.5 t -59.01 -43.46 89.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.787 0.327 . . . . 0.0 110.8 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.7 83.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.766 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.53 -42.42 98.44 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.394 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -68.85 -33.21 73.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.701 0.286 . . . . 0.0 110.906 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.27 -40.44 92.11 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.564 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.498 ' HA ' ' CE2' ' A' ' 99' ' ' PHE . . . -65.26 -41.65 94.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.074 0.464 . . . . 0.0 110.476 176.307 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.5 -38.03 88.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.568 176.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -70.56 -34.21 71.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.935 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -71.18 -35.4 71.58 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 174.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -63.29 -43.59 97.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.564 177.089 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -67.92 -34.62 76.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.035 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.97 -58.57 4.8 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -176.394 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -96.34 175.92 6.25 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 174.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -168.47 -168.3 0.9 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.0 m -64.99 -28.2 69.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.867 0.365 . . . . 0.0 110.719 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -79.4 97.48 6.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.175 0.512 . . . . 0.0 109.714 176.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -102.54 -37.69 7.87 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.691 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.8 m -105.07 117.86 35.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 26.5 p90 -172.71 163.03 5.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.819 -178.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -158.4 92.9 1.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.308 -0.406 . . . . 0.0 109.997 170.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 73.4 t80 62.78 -78.95 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.783 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -80.54 30.43 0.3 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.282 0.563 . . . . 0.0 112.041 -168.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -116.92 -61.67 1.69 Allowed 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 173.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.55 ' HB ' HD12 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -75.46 -43.72 48.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.168 177.28 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.55 HD12 ' HB ' ' A' ' 39' ' ' THR . 4.4 mp -91.31 81.72 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.734 -178.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.618 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 69.6 tttt -163.34 -60.24 0.01 OUTLIER Pre-proline 0 CA--C 1.538 0.482 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.065 177.449 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.618 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 2.6 Cg_exo -75.62 -52.25 0.1 Allowed 'Trans proline' 0 C--N 1.358 1.053 0 C-N-CA 121.797 1.665 . . . . 0.0 112.191 -174.777 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.89 -39.95 91.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.181 -178.077 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.451 HG21 HG23 ' A' ' 40' ' ' ILE . 56.3 t -57.03 -46.94 84.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.954 -178.324 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -71.32 -45.54 62.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.467 -178.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -61.69 -52.28 64.95 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.851 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 44.5 m-80 -64.86 -28.11 69.33 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.097 0.248 . . . . 0.0 111.44 -177.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -60.23 -54.03 50.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.739 0.304 . . . . 0.0 110.262 174.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -68.48 -34.76 76.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.509 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.7 tp -58.4 -53.12 61.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.06 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.26 -32.99 73.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.141 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.06 -49.72 73.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.792 0.329 . . . . 0.0 110.781 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -38.18 87.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.459 178.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -63.16 -43.89 97.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.31 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.75 80.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.975 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.31 -42.31 98.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.243 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.13 -42.66 83.59 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.19 178.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 62' ' ' ILE . . . -64.78 -36.37 84.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.578 0.228 . . . . 0.0 110.661 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.545 HD23 HD11 ' A' ' 62' ' ' ILE . 32.9 mt -61.79 -34.19 75.44 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.75 175.524 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 9.7 tp10 -71.09 -43.42 67.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.914 175.384 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.29 -47.29 84.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.637 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.545 HD11 HD23 ' A' ' 59' ' ' LEU . 36.4 pt -73.98 -11.81 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.003 0.43 . . . . 0.0 110.966 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -77.31 -33.99 55.5 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 174.786 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.6 t -88.87 -49.32 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.077 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.87 ' HD2' ' HA ' ' A' ' 120' ' ' GLU . 4.6 mmp_? -81.14 -32.29 33.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.071 -176.553 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 3.3 mpt_? 71.83 137.85 0.05 OUTLIER Pre-proline 0 N--CA 1.465 0.293 0 O-C-N 123.981 0.8 . . . . 0.0 110.341 -170.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 36.9 Cg_exo -60.57 103.98 0.24 Allowed 'Trans proline' 0 CA--C 1.53 0.275 0 C-N-CA 122.944 2.429 . . . . 0.0 112.664 -177.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -102.99 -53.91 2.73 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -86.19 -56.97 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.301 0.572 . . . . 0.0 110.151 175.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.448 HG23 HG23 ' A' ' 109' ' ' THR . 10.0 p -84.79 161.06 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.776 -176.045 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.479 ' HB3' ' HG2' ' A' ' 74' ' ' GLN . 73.9 t60 -110.02 141.69 42.48 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -56.3 -44.38 79.8 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 117.949 0.34 . . . . 0.0 111.647 -172.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -55.54 -27.09 46.86 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.622 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.604 ' O ' HG23 ' A' ' 78' ' ' VAL . 72.6 mm-40 -71.06 -45.31 64.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.22 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.468 ' H ' HD12 ' A' ' 75' ' ' ILE . 3.7 mp -55.6 -45.82 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 121.141 0.496 . . . . 0.0 110.573 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -72.56 -28.35 62.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.187 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.59 -34.24 40.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 74' ' ' GLN . 47.4 t -55.59 -42.45 68.76 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.353 -179.108 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.431 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 75.9 tttt -54.94 -52.93 61.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.958 0.409 . . . . 0.0 111.148 -178.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.69 -43.08 66.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.048 -176.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -64.11 -33.94 76.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.267 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 64.3 t80 -69.05 -43.08 75.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.455 179.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 79' ' ' LYS . 94.5 mt -62.13 -41.9 98.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.032 0.444 . . . . 0.0 110.262 177.706 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 15.0 tp10 -63.1 -44.73 94.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.092 175.358 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.436 HD11 ' HA ' ' A' ' 103' ' ' THR . 6.8 tt -55.66 -49.82 71.87 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.814 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.1 t -61.37 -43.95 97.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.734 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.61 ' O ' HG22 ' A' ' 91' ' ' VAL . 57.1 tp -64.23 -53.16 53.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -178.216 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 13.7 pt20 -61.91 -26.54 68.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.611 -176.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.5 t -65.92 -39.62 90.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.731 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -88.28 -49.36 7.03 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.61 HG22 ' O ' ' A' ' 87' ' ' LEU . 34.5 m -76.5 -21.18 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.655 -175.491 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 33.9 m170 61.81 41.72 11.39 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 122.634 0.374 . . . . 0.0 111.94 176.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.436 ' HD2' HG23 ' A' ' 94' ' ' ILE . 1.6 p-80 -89.1 28.88 1.13 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.316 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.436 HG23 ' HD2' ' A' ' 93' ' ' HIS . 23.3 pt -140.15 -178.31 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.16 0.505 . . . . 0.0 110.824 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -104.03 155.69 18.47 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 170.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -53.5 -42.52 67.43 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -171.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.474 ' NZ ' ' HB2' ' A' ' 97' ' ' LYS . 4.4 ttmp? -61.03 -35.66 77.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.704 0.288 . . . . 0.0 111.656 -177.053 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -64.68 -35.96 82.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.171 0.51 . . . . 0.0 110.506 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.498 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 77.3 t80 -66.76 -43.56 83.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.291 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -63.55 -46.38 86.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.488 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.55 -54.48 45.45 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.117 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.475 ' O ' HG23 ' A' ' 106' ' ' VAL . 67.5 mt -59.68 -47.29 91.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.948 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.436 ' HA ' HD11 ' A' ' 85' ' ' LEU . 41.2 m -60.45 -45.8 92.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 111.037 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -65.93 -43.54 87.77 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.56 -177.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.9 t -58.83 -41.09 86.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.64 177.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 102' ' ' ILE . 95.4 t -69.17 -48.93 66.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.716 178.668 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.42 -41.93 86.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.646 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -60.28 -46.61 89.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.906 0.384 . . . . 0.0 110.222 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.463 ' O ' HG23 ' A' ' 113' ' ' VAL . 55.4 m -60.8 -45.58 93.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.095 179.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 96.0 mt -59.71 -41.32 90.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.286 -178.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -68.54 -32.47 72.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.43 -40.69 77.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.906 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 109' ' ' THR . 63.6 t -71.94 -39.75 67.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.138 0.494 . . . . 0.0 110.134 -178.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -60.46 -37.97 82.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.586 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -72.93 -34.68 66.74 Favored 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.434 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -63.11 -40.48 97.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.263 0.554 . . . . 0.0 109.987 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 113' ' ' VAL . 79.8 mt -62.21 -39.82 85.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.32 176.343 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.89 -30.28 67.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.295 0.569 . . . . 0.0 110.259 175.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -80.08 -4.48 52.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.654 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.87 ' HA ' ' HD2' ' A' ' 65' ' ' ARG . 7.9 tp10 -72.6 -3.85 27.27 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.506 0.67 . . . . 0.0 109.793 169.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 37.5 t70 61.91 68.89 0.66 Allowed 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.289 -174.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.6 p -82.05 126.4 31.95 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.301 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.9 179.478 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 120.715 0.293 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.7 mt -55.62 128.77 36.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.845 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.631 ' HB3' ' HB3' ' A' ' 8' ' ' GLU . 24.2 m 57.74 84.81 0.09 Allowed 'General case' 0 CA--C 1.53 0.207 0 O-C-N 123.789 0.681 . . . . 0.0 111.11 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.501 ' H ' ' HB3' ' A' ' 7' ' ' LEU . 9.1 pt20 -120.06 100.83 7.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.099 0.476 . . . . 0.0 112.168 -176.401 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.9 m 70.57 -71.79 0.12 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 114.911 -1.04 . . . . 0.0 112.684 169.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.7 tp -98.32 -23.53 15.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.463 0.649 . . . . 0.0 110.343 -177.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.505 ' HG ' ' HG2' ' A' ' 11' ' ' GLU . 34.3 tp -74.54 -37.0 63.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.223 -175.709 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.631 ' HB3' ' HB3' ' A' ' 3' ' ' SER . 7.0 pt-20 -59.56 -42.76 93.15 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -172.549 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -62.02 -40.03 94.32 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.282 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.481 ' O ' HG12 ' A' ' 14' ' ' ILE . 41.1 m -63.84 -48.6 76.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.168 176.783 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.505 ' HG2' ' HG ' ' A' ' 7' ' ' LEU . 19.5 mm-40 -57.7 -43.16 84.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.352 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.498 ' O ' HG23 ' A' ' 16' ' ' VAL . 55.2 tp60 -67.39 -40.55 85.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.409 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.604 ' SD ' HD21 ' A' ' 110' ' ' LEU . 47.4 ttm -66.64 -36.94 83.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.243 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 10' ' ' THR . 18.0 mm -55.2 -47.79 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.216 0.531 . . . . 0.0 110.007 173.699 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.573 ' HG2' ' HD3' ' A' ' 19' ' ' LYS . 37.5 tt0 -65.84 -44.95 83.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.171 -177.456 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 12' ' ' GLN . 99.8 t -62.2 -39.66 84.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.533 0.206 . . . . 0.0 110.851 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.59 -54.38 32.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.526 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -57.03 -55.17 38.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.1 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.573 ' HD3' ' HG2' ' A' ' 15' ' ' GLU . 41.9 mtpt -72.48 -28.75 63.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.679 -175.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.97 -48.57 59.77 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.567 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.83 95.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.981 0.42 . . . . 0.0 110.673 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.404 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 31.2 t70 -64.21 -42.5 96.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.778 177.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -62.86 -37.75 88.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.463 0.649 . . . . 0.0 110.42 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -71.39 -34.92 70.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.322 177.186 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -73.18 -26.71 61.28 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.34 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.743 ' HB3' ' HB3' ' A' ' 29' ' ' ASN . 58.6 mm-40 -61.37 -40.68 95.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.21 0.529 . . . . 0.0 109.576 170.72 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.64 68.14 1.27 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.32 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.2 tttt 60.69 48.96 6.7 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.774 0.797 . . . . 0.0 109.836 178.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.743 ' HB3' ' HB3' ' A' ' 26' ' ' GLU . 56.3 t30 -124.17 163.32 21.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.288 -175.29 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.0 m 65.52 20.61 11.7 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.661 0.601 . . . . 0.0 111.533 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -124.47 133.22 53.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.721 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -81.61 -79.09 0.17 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.749 0.309 . . . . 0.0 110.729 -178.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.2 m -97.93 132.38 43.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.982 0.42 . . . . 0.0 110.577 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -95.19 11.69 31.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.54 0.686 . . . . 0.0 109.524 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.89 ' HB3' ' HB2' ' A' ' 38' ' ' GLU . 10.5 t70 -58.77 144.7 43.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.94 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -53.61 -52.18 60.68 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.607 -176.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -83.81 -18.39 37.82 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.06 0.457 . . . . 0.0 111.048 -175.493 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.89 ' HB2' ' HB3' ' A' ' 35' ' ' ASP . 5.1 mm-40 -84.12 -19.93 33.39 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -177.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.712 HG23 HG13 ' A' ' 40' ' ' ILE . 5.6 t -130.01 -24.16 2.67 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.172 -0.611 . . . . 0.0 111.966 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.712 HG13 HG23 ' A' ' 39' ' ' THR . 56.5 mt -114.25 84.62 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.244 0.545 . . . . 0.0 111.215 -178.538 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.606 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 64.8 tttp -164.82 -57.25 0.01 OUTLIER Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.319 174.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.606 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 22.6 Cg_exo -64.07 -50.28 3.08 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.595 1.53 . . . . 0.0 111.636 -177.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.88 -40.55 76.41 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.997 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.95 -47.41 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.009 0.433 . . . . 0.0 110.914 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -69.35 -39.19 78.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.594 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -64.25 -49.05 73.41 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.077 176.789 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 94.7 m-20 -65.42 -36.73 84.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.472 -176.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.67 -57.28 12.11 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.23 0.331 . . . . 0.0 111.273 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 53' ' ' ARG . 39.4 mt-10 -73.09 -27.91 61.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.045 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 13.4 tp -60.09 -53.04 62.44 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 178.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.39 -40.34 89.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.953 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.73 96.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.366 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 4.3 mmm180 -74.61 -34.55 62.84 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.811 0.339 . . . . 0.0 110.964 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.7 t90 -65.87 -49.38 68.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.04 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.01 93.5 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.847 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -55.73 -48.14 75.71 Favored 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 123.212 0.605 . . . . 0.0 111.343 178.336 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.38 -41.94 57.62 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.518 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.67 98.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.719 0.295 . . . . 0.0 111.013 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.507 HD23 HD11 ' A' ' 62' ' ' ILE . 26.7 mt -61.38 -41.78 97.66 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.733 177.694 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.537 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 5.3 tp10 -63.06 -45.4 92.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.352 0.596 . . . . 0.0 109.852 177.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.99 -49.93 75.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.283 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.507 HD11 HD23 ' A' ' 59' ' ' LEU . 34.1 pt -71.13 -24.86 24.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -174.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -82.1 -20.59 37.82 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.654 179.499 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.5 t -95.99 -53.34 8.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.393 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 32.1 ttt85 -91.56 -5.47 53.99 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -173.698 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.584 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 91.3 mtt180 77.28 150.2 0.12 Allowed Pre-proline 0 N--CA 1.471 0.588 0 C-N-CA 123.048 0.539 . . . . 0.0 111.268 -177.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 12.2 Cg_exo -71.02 90.36 0.65 Allowed 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.659 2.239 . . . . 0.0 111.387 174.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -82.97 -60.76 2.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 -175.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -94.43 -56.37 2.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.267 0.556 . . . . 0.0 110.395 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.491 HG21 HG23 ' A' ' 109' ' ' THR . 12.6 p -87.43 150.89 3.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.416 -177.149 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -104.18 156.77 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -57.6 -40.29 78.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.932 0.396 . . . . 0.0 110.767 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.05 -29.49 69.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.087 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.471 ' O ' HG23 ' A' ' 78' ' ' VAL . 75.5 mm-40 -68.15 -44.68 75.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.842 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.0 mp -58.81 -44.07 89.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 121.073 0.464 . . . . 0.0 110.23 178.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -70.64 -29.61 66.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.805 -178.545 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.66 -45.74 57.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 177.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 74' ' ' GLN . 78.1 t -59.02 -39.76 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.769 -178.194 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -56.87 -46.78 81.6 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.068 0.461 . . . . 0.0 110.372 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -73.92 -46.98 40.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.49 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -56.88 -44.01 81.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.46 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.436 ' O ' HG23 ' A' ' 86' ' ' VAL . 41.5 t80 -61.19 -52.45 64.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -176.345 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 45.7 mt -66.59 -38.92 88.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.303 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 7.4 mm-40 -62.94 -49.54 74.35 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.524 175.342 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.3 tt -52.55 -48.61 66.02 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.408 0.443 . . . . 0.0 110.664 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 82' ' ' PHE . 91.8 t -56.97 -50.09 77.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.99 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.423 ' O ' HG22 ' A' ' 91' ' ' VAL . 43.6 tp -68.3 -42.49 79.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.175 -177.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 95.7 mt-30 -65.29 -27.31 68.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.14 -176.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 61.5 m -69.89 -38.53 76.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.824 0.345 . . . . 0.0 110.731 177.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -73.17 -48.67 33.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.208 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 87' ' ' LEU . 29.6 m -84.15 -2.94 7.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.405 -176.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 34.6 m80 60.74 44.6 10.96 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.823 177.273 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -80.52 -20.39 43.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.439 -178.69 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.0 pp -99.44 -179.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.139 176.441 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.08 -67.15 0.79 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.613 0.244 . . . . 0.0 110.855 177.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -166.88 -57.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.426 -175.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.434 ' HB3' ' HD3' ' A' ' 98' ' ' ARG . 28.2 tptt -54.02 -57.31 11.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.242 -172.177 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.434 ' HD3' ' HB3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -75.56 -29.53 59.38 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.057 -176.084 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -58.89 -43.14 90.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.967 0.413 . . . . 0.0 110.588 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -61.96 -51.75 66.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.78 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -61.78 -43.24 99.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.329 -177.623 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.438 ' O ' HG23 ' A' ' 106' ' ' VAL . 82.8 mt -59.55 -47.12 92.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.534 176.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 37.3 m -60.84 -43.85 97.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.996 0.426 . . . . 0.0 110.285 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -63.38 -37.27 86.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.486 178.086 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 43.7 m -66.16 -40.52 90.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.705 0.288 . . . . 0.0 110.817 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 102' ' ' ILE . 90.7 t -64.06 -50.59 76.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.258 176.411 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.33 -40.11 89.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.262 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -53.68 -49.69 67.47 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.059 0.457 . . . . 0.0 110.658 175.747 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.491 HG23 HG21 ' A' ' 70' ' ' VAL . 89.4 m -62.7 -44.85 95.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.743 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.604 HD21 ' SD ' ' A' ' 13' ' ' MET . 95.5 mt -62.83 -40.41 97.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.495 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -64.27 -37.2 86.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.894 0.378 . . . . 0.0 110.954 178.203 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.4 -48.95 73.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.9 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 41.1 t -68.08 -34.25 65.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.42 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -55.18 -43.66 74.55 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.569 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -63.43 -49.35 74.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.943 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.49 -53.4 54.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 123.486 0.491 . . . . 0.0 111.151 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 75.6 mt -58.21 -49.37 81.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.333 -177.075 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.14 -23.74 59.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.188 -176.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -70.55 -53.09 17.46 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.518 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 121' ' ' ASP . 29.1 mt-10 -69.56 -55.56 9.79 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.452 176.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.404 ' HB3' ' O ' ' A' ' 120' ' ' GLU . 21.7 t70 70.46 140.86 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 O-C-N 124.065 0.853 . . . . 0.0 111.85 178.274 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 27.1 m -147.39 100.35 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.708 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 41.8 mtt180 . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 121.456 0.646 . . . . 0.0 110.191 -175.918 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.462 ' O ' ' HB2' ' A' ' 2' ' ' LEU . 19.9 ptt? . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 1' ' ' MET . 10.4 mp 73.4 142.49 0.07 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.209 0.604 . . . . 0.0 110.844 -177.235 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 m -86.6 28.78 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.045 -174.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -80.27 112.3 17.46 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 3.0 m -72.1 79.84 0.95 Allowed 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.265 0.555 . . . . 0.0 110.863 -178.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 5' ' ' THR . 51.4 tp 170.05 -38.93 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.71 -174.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.402 HD11 ' HG2' ' A' ' 114' ' ' LYS . 40.0 tp -77.5 -37.49 50.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.757 -177.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -37.06 76.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.077 0.465 . . . . 0.0 110.744 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.516 ' SD ' ' HD2' ' A' ' 53' ' ' ARG . 44.7 ttp -61.52 -37.1 82.47 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.913 172.475 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.46 ' O ' HG13 ' A' ' 14' ' ' ILE . 62.0 m -66.68 -46.37 75.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.06 175.384 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.44 -36.9 74.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 176.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.459 ' O ' HG23 ' A' ' 16' ' ' VAL . 48.4 tt0 -61.05 -47.97 83.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.497 175.289 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.504 ' SD ' HD21 ' A' ' 110' ' ' LEU . 47.3 ttm -61.25 -39.88 92.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.55 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.474 HG12 HD13 ' A' ' 110' ' ' LEU . 80.8 mt -63.87 -44.11 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.266 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.11 -42.64 95.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.673 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 12' ' ' GLN . 98.0 t -63.56 -44.59 98.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 177.732 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.75 -48.23 77.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.792 0.33 . . . . 0.0 110.885 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -57.15 -53.15 61.35 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.4 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.478 ' HA ' ' HB3' ' A' ' 22' ' ' ASP . 8.0 tptp -69.07 -24.44 64.16 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.211 -177.664 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.53 -44.65 92.58 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.374 174.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.23 -38.5 78.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.313 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.478 ' HB3' ' HA ' ' A' ' 19' ' ' LYS . 14.5 t70 -60.05 -42.99 95.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.778 175.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.599 HH21 ' HB3' ' A' ' 29' ' ' ASN . 10.5 tpt180 -62.63 -44.63 95.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.476 178.74 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -65.81 -34.81 79.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.879 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -70.24 -34.88 73.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.067 0.461 . . . . 0.0 110.15 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -74.27 -60.07 2.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.153 177.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 143.9 -178.49 21.92 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.999 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -88.12 151.44 22.72 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.599 ' HB3' HH21 ' A' ' 23' ' ' ARG . 9.1 t30 -134.56 148.4 50.46 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 -178.538 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.1 m 73.16 122.07 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 O-C-N 124.311 1.007 . . . . 0.0 110.369 -176.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -104.79 -15.45 15.21 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.42 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.426 ' C ' ' H ' ' A' ' 34' ' ' TYR . 34.5 m170 -115.44 149.57 37.82 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 174.33 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.6 t 73.14 -31.1 0.22 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.587 0.755 . . . . 0.0 110.984 -176.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.426 ' H ' ' C ' ' A' ' 32' ' ' HIS . 85.6 t80 -73.96 77.88 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 173.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -169.19 91.78 0.25 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.886 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.535 ' HA ' HD13 ' A' ' 40' ' ' ILE . 28.3 t80 70.11 -61.57 0.45 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.619 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -80.89 165.39 21.85 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 120.776 0.322 . . . . 0.0 110.589 -176.607 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 71.17 -40.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.605 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 p -98.86 -63.9 1.08 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.623 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.535 HD13 ' HA ' ' A' ' 36' ' ' PHE . 4.4 mp -85.13 58.58 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 121.722 0.773 . . . . 0.0 110.581 -177.221 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 25.0 mmtp -147.26 -66.53 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.637 173.473 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.439 ' HD2' ' H ' ' A' ' 41' ' ' LYS . 49.0 Cg_endo -68.05 -40.14 9.55 Favored 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 121.691 1.594 . . . . 0.0 112.086 -176.485 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.45 99.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.306 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.5 t -61.69 -41.68 91.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.571 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 44.0 mt-10 -64.42 -50.01 69.26 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.974 0.416 . . . . 0.0 110.71 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -61.35 -59.89 4.58 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.114 -177.435 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 45.7 m-80 -62.41 -26.97 68.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.688 -1.142 . . . . 0.0 112.216 -174.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -66.55 -55.44 15.45 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 176.639 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.8 -33.94 76.24 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 121.163 0.506 . . . . 0.0 110.163 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.417 HD11 ' OE1' ' A' ' 12' ' ' GLN . 10.9 tp -61.56 -52.44 64.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.201 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.499 ' HB3' ' HG3' ' A' ' 79' ' ' LYS . . . -72.39 -25.65 61.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.957 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.06 -54.88 17.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.547 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.516 ' HD2' ' SD ' ' A' ' 9' ' ' MET . 3.9 tmt_? -59.69 -38.41 81.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.103 177.504 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -63.62 -52.6 60.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.604 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.46 -43.96 96.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.242 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -58.43 -39.14 78.97 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 120.631 0.253 . . . . 0.0 110.923 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.17 -48.23 20.49 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.554 178.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.02 96.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.657 0.265 . . . . 0.0 111.167 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.475 HD23 HD11 ' A' ' 62' ' ' ILE . 37.0 mt -64.4 -37.61 88.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.993 177.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -62.41 -40.05 95.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.043 0.449 . . . . 0.0 109.964 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.5 tp -62.03 -48.89 78.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.531 HG22 ' HB3' ' A' ' 67' ' ' PRO . 37.1 pt -78.32 -11.34 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.348 0.594 . . . . 0.0 111.107 -177.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -81.82 -39.62 23.72 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.618 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 90.0 t -87.98 -45.95 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.827 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.9 mtp85 -114.94 -166.33 1.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.321 -177.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -104.1 132.49 20.95 Favored Pre-proline 0 C--O 1.236 0.345 0 CA-C-O 120.982 0.42 . . . . 0.0 111.432 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.531 ' HB3' HG22 ' A' ' 62' ' ' ILE . 55.3 Cg_endo -72.06 134.28 23.02 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.493 2.129 . . . . 0.0 111.035 172.329 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -100.66 -34.72 9.75 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.622 -173.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.548 ' HB2' ' HB1' ' A' ' 112' ' ' ALA . 54.9 m-85 -115.16 -46.02 2.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.041 0.448 . . . . 0.0 111.246 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.53 ' O ' ' HB2' ' A' ' 67' ' ' PRO . 7.4 p -93.59 167.15 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.162 -172.437 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.425 ' N ' HG22 ' A' ' 70' ' ' VAL . 75.1 m-70 -121.95 177.9 5.11 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 176.448 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -67.05 -57.76 6.21 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.969 0.414 . . . . 0.0 111.772 -175.626 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -60.73 -34.33 74.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.111 -173.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.609 ' O ' HG23 ' A' ' 78' ' ' VAL . 12.3 mm-40 -55.04 -53.38 56.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.514 HD12 HD13 ' A' ' 62' ' ' ILE . 75.8 mt -59.73 -39.02 78.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.468 -176.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.459 ' HG2' HD11 ' A' ' 59' ' ' LEU . 29.3 mt-10 -76.93 -33.92 57.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.861 0.362 . . . . 0.0 110.686 -177.345 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.61 -29.78 61.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.792 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 74' ' ' GLN . 29.7 t -56.64 -42.02 75.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.316 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.499 ' HG3' ' HB3' ' A' ' 51' ' ' ALA . 84.4 tttt -58.52 -49.07 78.72 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.625 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -64.36 -36.25 83.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.33 0.586 . . . . 0.0 110.859 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -75.25 -35.67 61.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.336 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -69.41 -36.3 76.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.394 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 79' ' ' LYS . 96.9 mt -63.89 -41.55 97.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.978 174.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 10.4 tp10 -63.16 -42.1 99.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.242 175.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.0 tt -54.5 -45.42 73.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.58 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.54 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.544 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.494 ' O ' HG22 ' A' ' 91' ' ' VAL . 59.9 tp -64.16 -49.63 71.34 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.39 -177.37 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 12.6 pt20 -65.57 -23.2 66.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.239 -177.754 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.1 t -67.69 -29.42 68.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.932 0.396 . . . . 0.0 109.999 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -95.72 -57.69 2.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.79 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 87' ' ' LEU . 35.5 m -84.39 -15.82 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -173.375 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 25.3 m170 59.41 30.63 20.35 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 174.421 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -82.62 35.15 0.45 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.082 0.468 . . . . 0.0 112.015 -173.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.691 ' HB ' ' HB2' ' A' ' 98' ' ' ARG . 2.1 pp -129.13 13.15 2.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.913 0.387 . . . . 0.0 111.077 -179.076 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 61.51 -76.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.623 -174.619 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -162.14 -54.87 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.687 -176.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -66.66 -41.77 87.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.863 -170.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.691 ' HB2' ' HB ' ' A' ' 94' ' ' ILE . 62.8 mtt180 -60.0 -29.39 68.44 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.428 ' HA ' ' NE2' ' A' ' 88' ' ' GLN . 46.3 t80 -59.91 -42.1 93.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.031 0.443 . . . . 0.0 110.167 -179.243 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -67.79 -53.41 27.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.936 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -56.95 -45.91 82.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.693 -174.637 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.418 ' O ' HG23 ' A' ' 106' ' ' VAL . 65.5 mt -63.76 -43.59 98.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.4 m -62.91 -42.78 99.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.068 0.461 . . . . 0.0 110.085 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -60.35 -46.78 88.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.066 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.9 m -57.8 -42.85 85.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 0.0 111.009 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.456 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 94.8 t -69.33 -52.36 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.86 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 110' ' ' LEU . 41.1 mt -60.58 -39.28 87.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.778 -177.802 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -59.58 -42.98 93.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.359 0.599 . . . . 0.0 109.955 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.495 HG21 HG21 ' A' ' 78' ' ' VAL . 30.3 m -70.08 -39.4 75.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.707 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.504 HD21 ' SD ' ' A' ' 13' ' ' MET . 94.1 mt -61.46 -39.76 92.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 178.633 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -56.8 -44.79 82.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.296 0.57 . . . . 0.0 110.34 175.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.548 ' HB1' ' HB2' ' A' ' 69' ' ' TYR . . . -64.3 -49.3 72.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.492 -177.034 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.8 t -71.71 -33.91 50.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.031 0.443 . . . . 0.0 110.396 -174.151 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.402 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -57.88 -47.41 82.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.672 177.625 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.36 -37.96 80.97 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.497 -178.075 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 112' ' ' ALA . 28.3 mm-40 -54.6 -52.76 61.16 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 111.203 177.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 75.1 mt -58.62 -46.04 90.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.139 -177.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.85 -16.25 58.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.526 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -86.39 -39.55 16.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.388 . . . . 0.0 110.503 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -71.56 -34.74 70.24 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.277 -178.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -143.33 125.84 15.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.803 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.4 m -111.36 136.42 50.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.69 0.281 . . . . 0.0 110.983 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 . . . . . 0 C--N 1.332 -0.175 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.206 -179.196 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.875 0.369 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.2 mt -112.83 96.03 5.74 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 m -144.05 89.47 2.04 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.136 0.493 . . . . 0.0 110.727 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -127.05 96.89 4.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.554 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.3 p -77.62 114.32 16.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.337 0.589 . . . . 0.0 110.66 -178.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.6 tp -117.93 -28.08 6.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.23 -176.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.73 ' HG ' ' HG2' ' A' ' 11' ' ' GLU . 35.1 tp -70.6 -35.78 73.17 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.671 -175.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 9' ' ' MET . 5.9 pt-20 -51.89 -45.92 64.35 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -174.471 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.454 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 3.5 mpp? -63.06 -42.68 99.73 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.844 0.354 . . . . 0.0 110.314 -178.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.535 ' O ' HG13 ' A' ' 14' ' ' ILE . 19.6 m -64.35 -50.88 65.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.987 178.191 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.73 ' HG2' ' HG ' ' A' ' 7' ' ' LEU . 23.8 mm-40 -54.46 -49.63 69.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.513 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.427 ' HB3' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -58.56 -48.97 79.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.401 178.17 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.62 ' SD ' HD21 ' A' ' 110' ' ' LEU . 49.8 ttm -62.68 -36.74 83.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.941 -178.556 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 10' ' ' THR . 78.4 mt -65.13 -51.02 71.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.583 0.23 . . . . 0.0 110.772 178.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.82 -37.66 82.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.995 -176.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 12' ' ' GLN . 72.2 t -64.61 -39.19 84.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.256 175.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.44 -49.54 75.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.498 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -58.9 -48.61 80.82 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.395 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -63.23 -40.27 96.98 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.674 0.273 . . . . 0.0 111.11 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.73 -38.25 94.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.215 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.92 -35.23 74.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.717 0.294 . . . . 0.0 110.825 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.751 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 20.7 t70 -75.43 -32.51 60.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.117 0.484 . . . . 0.0 110.461 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' HD3' ' O ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -64.41 -39.27 93.52 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 172.697 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.794 ' HE2' ' HA ' ' A' ' 96' ' ' LYS . 27.2 t80 -75.12 -32.55 61.41 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.031 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.751 ' HG3' ' O ' ' A' ' 22' ' ' ASP . 5.1 pp0? -65.29 -30.29 71.14 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.536 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.403 ' HG3' ' NE2' ' A' ' 25' ' ' GLN . 37.8 mt-10 -72.97 -35.48 66.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.888 0.375 . . . . 0.0 110.321 171.156 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.13 103.9 0.87 Allowed Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.61 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -119.54 -1.72 10.62 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.387 0.613 . . . . 0.0 110.319 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -119.64 148.85 42.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.249 174.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.1 p -65.51 -59.05 4.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.461 -176.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 60.97 85.11 0.12 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.162 0.506 . . . . 0.0 110.381 -177.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.81 88.39 0.73 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.243 -174.708 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.4 t 70.61 141.31 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 O-C-N 123.771 0.669 . . . . 0.0 111.624 174.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -160.64 -55.73 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.382 177.734 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.547 ' O ' HD12 ' A' ' 40' ' ' ILE . 14.5 t0 -117.72 145.98 44.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.735 0.303 . . . . 0.0 111.612 -177.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -148.38 6.56 0.75 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.966 173.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -141.25 -20.22 0.78 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -171.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -77.22 -61.44 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.461 0.172 . . . . 0.0 111.137 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.2 t -117.44 -25.37 7.02 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.311 -177.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 35' ' ' ASP . 20.3 mt -69.55 -42.29 80.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -176.305 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -50.64 -57.23 13.98 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -177.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.41 -40.7 23.38 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 121.702 1.601 . . . . 0.0 111.993 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.6 85.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.736 -177.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 40' ' ' ILE . 99.5 t -61.39 -38.89 81.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.686 0.279 . . . . 0.0 111.014 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -70.34 -50.87 34.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.65 0.262 . . . . 0.0 110.95 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -56.03 -55.11 36.8 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.579 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -67.51 -29.19 68.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.144 -174.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.92 -47.58 74.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.782 0.325 . . . . 0.0 110.166 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.49 -40.11 89.09 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.014 0.435 . . . . 0.0 109.907 176.316 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.427 HD21 ' HB3' ' A' ' 12' ' ' GLN . 13.1 tp -55.62 -53.26 58.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.528 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.69 ' HB1' ' HG2' ' A' ' 79' ' ' LYS . . . -62.78 -38.26 89.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.459 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.0 -52.84 53.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.128 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -34.17 77.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.662 -179.226 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.413 ' HB2' ' HB3' ' A' ' 9' ' ' MET . 79.1 t90 -66.0 -49.31 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.167 176.727 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.75 -44.86 82.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.831 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -57.67 -53.21 60.77 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.031 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.94 -42.53 99.66 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.994 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.41 -43.25 81.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.84 0.352 . . . . 0.0 111.024 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.587 HD21 ' HG3' ' A' ' 72' ' ' LYS . 24.9 mt -66.96 -37.4 84.2 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 177.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 64' ' ' VAL . 24.9 tp10 -65.79 -39.52 91.03 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.46 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.86 -51.03 71.29 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 38.9 pt -67.61 -31.38 52.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -174.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -26.36 34.16 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.585 178.617 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 60' ' ' GLU . 39.3 t -68.6 -48.0 74.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.605 0.241 . . . . 0.0 110.63 177.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -106.42 -80.32 0.56 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.949 177.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.591 ' HG3' ' HD2' ' A' ' 67' ' ' PRO . 11.6 ttm180 -175.44 141.33 0.64 Allowed Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -176.163 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.591 ' HD2' ' HG3' ' A' ' 66' ' ' ARG . 50.3 Cg_exo -54.26 115.03 2.09 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.643 2.228 . . . . 0.0 112.278 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.472 ' HD2' ' OE2' ' A' ' 116' ' ' GLU . 6.9 ttmt -139.19 115.6 10.51 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -176.547 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 67.16 -70.08 0.12 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.658 0.599 . . . . 0.0 111.025 -177.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.7 p -76.1 140.39 17.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.203 0.525 . . . . 0.0 109.82 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -135.07 161.24 35.88 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -178.221 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.587 ' HG3' HD21 ' A' ' 59' ' ' LEU . 65.2 tttp -59.61 -39.8 85.43 Favored 'General case' 0 CA--C 1.52 -0.2 0 O-C-N 123.203 0.314 . . . . 0.0 110.457 -178.431 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -51.01 -44.22 60.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.98 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -69.47 -46.21 67.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.693 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 72.5 mt -60.71 -39.98 83.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.227 -177.474 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -68.31 -42.08 79.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.984 0.421 . . . . 0.0 110.231 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.47 71.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.839 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.47 HG21 ' HB ' ' A' ' 109' ' ' THR . 77.9 t -67.12 -42.25 88.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.349 -177.197 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.69 ' HG2' ' HB1' ' A' ' 51' ' ' ALA . 14.4 tmtt? -55.77 -41.41 73.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.201 0.524 . . . . 0.0 110.377 179.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.49 -49.8 20.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.833 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -64.59 -31.68 73.0 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.04 -177.166 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.406 ' O ' HG23 ' A' ' 86' ' ' VAL . 51.3 t80 -65.52 -45.16 84.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.846 0.355 . . . . 0.0 110.58 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.98 -41.48 98.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.077 0.465 . . . . 0.0 110.359 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 24.9 mm-40 -61.44 -47.3 86.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.532 175.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.7 tt -52.64 -49.42 65.2 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 122.9 0.48 . . . . 0.0 110.818 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 82' ' ' PHE . 65.1 t -57.01 -46.98 84.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.019 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.425 ' O ' HG22 ' A' ' 91' ' ' VAL . 52.2 tp -66.83 -45.66 77.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 16.7 mm-40 -69.14 -24.38 64.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.762 -174.825 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.424 ' HA ' ' HD1' ' A' ' 24' ' ' TYR . 24.7 t -66.47 -21.54 66.19 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.061 0.458 . . . . 0.0 110.134 177.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -102.88 -57.91 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.647 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 87' ' ' LEU . 34.0 m -72.28 -23.78 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -174.386 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 50.4 m170 60.73 36.48 19.37 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.351 0.407 . . . . 0.0 111.866 175.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.514 ' HB3' ' OE1' ' A' ' 88' ' ' GLN . 68.2 t60 -69.68 -34.74 74.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.675 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.531 HG12 ' HB3' ' A' ' 88' ' ' GLN . 44.2 pt -96.65 159.39 3.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.386 177.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -82.59 168.49 17.28 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.96 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.794 ' HA ' ' HE2' ' A' ' 24' ' ' TYR . 42.7 tttp -68.41 -31.12 70.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.817 -169.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -71.77 -53.83 12.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 -177.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -62.86 -33.91 76.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.065 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -57.36 -41.43 80.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.876 0.37 . . . . 0.0 110.282 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.569 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 25.4 tptp -64.52 -44.24 91.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.457 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -65.48 -37.85 88.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.711 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.58 -43.02 96.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.849 174.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.6 m -58.84 -45.28 90.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.869 174.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' ' 100' ' ' LYS . 33.3 mm-40 -56.0 -48.94 74.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.516 176.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.7 m -57.1 -45.35 83.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.27 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.461 HG13 HG13 ' A' ' 78' ' ' VAL . 97.6 t -66.88 -53.8 30.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.628 179.331 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.433 HD23 HD12 ' A' ' 110' ' ' LEU . 29.0 mt -60.55 -35.3 75.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.986 -178.18 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -57.19 -52.11 66.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.931 0.396 . . . . 0.0 110.573 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.47 ' HB ' HG21 ' A' ' 78' ' ' VAL . 41.8 m -66.93 -38.73 86.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.62 HD21 ' SD ' ' A' ' 13' ' ' MET . 89.9 mt -59.9 -40.93 90.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.052 178.081 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -64.27 -36.3 83.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.506 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.44 -42.27 87.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.532 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 117' ' ' ILE . 60.8 t -71.8 -43.18 69.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.015 0.436 . . . . 0.0 110.303 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -61.13 -40.64 94.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.539 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -70.98 -39.89 72.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.537 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.472 ' OE2' ' HD2' ' A' ' 68' ' ' LYS . 7.9 mm-40 -59.85 -47.17 86.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.779 176.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 113' ' ' VAL . 83.7 mt -59.84 -44.44 94.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.844 0.354 . . . . 0.0 110.543 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.66 -17.02 61.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.106 0.479 . . . . 0.0 110.959 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -83.19 -44.53 14.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.975 177.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -65.0 -47.31 77.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.048 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -152.43 101.5 2.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.075 0.464 . . . . 0.0 110.572 178.535 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.7 p -91.29 82.79 5.44 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.631 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.609 ' HA ' ' NE ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 CA-C-O 121.051 0.453 . . . . 0.0 110.402 178.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.58 ' HG3' ' HB3' ' A' ' 11' ' ' GLU . 1.7 mpt? . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 120.94 0.4 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.648 HD21 HD23 ' A' ' 7' ' ' LEU . 1.2 pt? -162.03 112.15 1.56 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.585 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.498 ' HA ' ' HG3' ' A' ' 8' ' ' GLU . 55.3 m -76.87 37.9 0.19 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.654 -169.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.474 ' O ' ' HB ' ' A' ' 5' ' ' THR . 3.2 mp0 -69.71 -62.66 1.29 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 173.011 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' ' 4' ' ' GLN . 13.2 t 173.44 161.11 0.14 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.255 177.466 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.1 tp 70.35 -67.34 0.24 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 171.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.648 HD23 HD21 ' A' ' 2' ' ' LEU . 32.8 tp -61.68 -31.29 71.41 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -170.42 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.498 ' HG3' ' HA ' ' A' ' 3' ' ' SER . 8.2 mm-40 -55.09 -36.38 65.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.175 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -65.67 -32.25 73.72 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.317 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.531 ' O ' HG12 ' A' ' 14' ' ' ILE . 17.2 m -73.62 -47.42 40.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.766 175.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.58 ' HB3' ' HG3' ' A' ' 1' ' ' MET . 11.4 mm-40 -55.39 -45.3 76.64 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.699 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.511 ' O ' HG23 ' A' ' 16' ' ' VAL . 59.1 tt0 -62.71 -47.66 82.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.393 177.642 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.8 ttm -60.64 -36.32 78.37 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.531 HG12 ' O ' ' A' ' 10' ' ' THR . 28.6 mm -55.16 -52.16 47.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.795 175.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -67.47 -37.22 82.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.161 -176.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 12' ' ' GLN . 89.4 t -60.88 -42.19 91.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.715 0.293 . . . . 0.0 110.615 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.4 -49.81 67.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.749 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -58.93 -41.04 86.41 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.61 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 36.3 mttp -66.14 -44.74 83.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.04 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.75 -49.96 72.88 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.628 -178.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.463 ' HA ' ' CE2' ' A' ' 99' ' ' PHE . . . -58.2 -44.21 87.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.026 0.441 . . . . 0.0 111.346 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.623 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 4.2 t70 -72.81 -35.9 67.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.461 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -67.58 -36.49 80.99 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.237 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -70.65 -34.49 72.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.346 175.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.623 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 6.5 pt20 -67.11 -24.78 65.96 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 110.283 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -74.61 -42.52 58.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.551 172.63 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -106.42 70.35 0.22 Allowed Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.502 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.566 ' HB3' ' HE3' ' A' ' 96' ' ' LYS . 53.7 mtmt -96.74 -28.83 14.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.695 0.283 . . . . 0.0 111.618 -176.702 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -104.57 -2.84 24.61 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -168.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.7 p -123.53 132.21 53.84 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.249 0.547 . . . . 0.0 111.806 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -107.15 119.52 39.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.789 177.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -138.3 140.59 39.63 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.266 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.1 m -76.22 94.31 3.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.958 174.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.472 ' HB3' HG21 ' A' ' 39' ' ' THR . 3.9 m-85 -62.86 134.46 56.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.431 176.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.711 ' HB3' ' HB2' ' A' ' 38' ' ' GLU . 14.1 t70 -54.04 128.12 29.26 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.143 0.496 . . . . 0.0 111.293 -174.513 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -75.87 -4.38 40.49 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.892 -171.157 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -115.43 -38.51 3.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.956 0.408 . . . . 0.0 110.693 176.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.711 ' HB2' ' HB3' ' A' ' 35' ' ' ASP . 56.4 mm-40 -63.89 -63.59 1.12 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.988 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.472 HG21 ' HB3' ' A' ' 34' ' ' TYR . 8.4 t -103.98 -23.22 13.36 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.59 -171.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.5 mt -98.78 60.36 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.436 0.636 . . . . 0.0 110.575 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.956 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 3.1 mmpt? -148.22 -60.93 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.867 178.163 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.574 ' HD3' ' HB2' ' A' ' 41' ' ' LYS . 47.0 Cg_exo -56.47 -49.96 13.35 Favored 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 122.134 1.889 . . . . 0.0 113.172 -173.599 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.99 -35.93 79.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.475 -178.432 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.3 t -58.96 -54.59 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.219 -175.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.52 -38.12 88.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.619 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.32 -61.34 2.18 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.698 0.761 . . . . 0.0 111.236 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -62.67 -31.11 71.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.22 -1.355 . . . . 0.0 112.195 -172.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.65 -46.13 83.83 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.629 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -73.7 -38.35 64.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.096 0.474 . . . . 0.0 110.531 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.9 tp -58.27 -53.16 61.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.726 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.614 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -65.18 -30.23 71.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.289 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.6 -53.58 45.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.084 0.469 . . . . 0.0 110.473 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -69.21 -30.59 68.8 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.281 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -60.91 -47.61 85.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.152 175.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.46 -46.2 87.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.77 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -59.5 -42.56 92.45 Favored 'General case' 0 N--CA 1.432 -1.37 0 C-N-CA 123.229 0.611 . . . . 0.0 110.977 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.28 -45.19 91.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.239 178.097 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.87 98.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.871 0.367 . . . . 0.0 110.619 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.681 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 69.1 mt -60.24 -40.47 90.36 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.937 177.719 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.526 ' HA ' ' HD2' ' A' ' 63' ' ' LYS . 11.0 tp10 -55.71 -44.94 77.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.545 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.99 -40.78 95.48 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -177.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.596 ' HB ' ' HG3' ' A' ' 67' ' ' PRO . 26.4 pt -70.92 -35.39 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -174.016 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.681 ' HG3' ' O ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -83.19 -20.06 35.36 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 179.109 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 60' ' ' GLU . 54.9 t -78.19 -49.86 20.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.456 174.538 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.4 mtt-85 -106.89 -99.44 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.727 176.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.415 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 176.47 132.51 0.18 Allowed Pre-proline 0 C--N 1.33 -0.25 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -178.395 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.596 ' HG3' ' HB ' ' A' ' 62' ' ' ILE . 16.6 Cg_exo -65.72 132.36 30.44 Favored 'Trans proline' 0 N--CA 1.473 0.268 0 C-N-CA 122.614 2.209 . . . . 0.0 113.027 -174.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -98.88 -50.88 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.984 0.421 . . . . 0.0 110.805 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.402 ' CB ' ' HB1' ' A' ' 112' ' ' ALA . 74.0 m-85 -101.15 -52.6 3.23 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.358 -178.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 71' ' ' HIS . 8.3 p -74.55 163.9 3.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.652 -174.026 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.417 ' N ' HG22 ' A' ' 70' ' ' VAL . 11.1 t60 -135.58 144.8 46.38 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 176.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 17.9 ptmt -54.78 -42.5 71.8 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -175.75 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 72' ' ' LYS . 40.7 tt0 -57.48 -42.21 82.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.023 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.492 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 11.7 mm-40 -65.71 -37.12 85.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.09 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.47 -43.89 98.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.059 0.456 . . . . 0.0 110.491 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.84 -39.26 90.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.689 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.56 -46.62 53.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.615 -178.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.554 HG13 HG13 ' A' ' 106' ' ' VAL . 30.2 t -57.56 -41.76 79.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.614 ' HG3' ' HB1' ' A' ' 51' ' ' ALA . 83.1 tttt -52.94 -50.05 64.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.849 0.357 . . . . 0.0 111.196 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -74.76 -42.18 58.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 -176.689 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -62.98 -34.35 77.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.074 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.415 ' O ' HG23 ' A' ' 86' ' ' VAL . 74.0 t80 -65.02 -45.46 85.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.352 177.715 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.0 mt -62.88 -45.39 92.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.784 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.592 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 43.9 tt0 -63.33 -38.28 90.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.193 177.13 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.4 ' HA ' ' OE1' ' A' ' 88' ' ' GLN . 7.2 tt -58.54 -54.15 50.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.997 178.388 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 82' ' ' PHE . 66.4 t -58.91 -40.83 81.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.723 0.296 . . . . 0.0 110.871 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.54 -57.63 12.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.847 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.592 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -80.06 -8.55 59.44 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -173.748 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.0 m -67.34 -26.31 66.43 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.685 0.279 . . . . 0.0 110.525 176.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -80.72 -55.91 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.908 0.385 . . . . 0.0 110.887 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.447 HG23 ' H ' ' A' ' 93' ' ' HIS . 19.1 m -75.22 -15.69 15.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -174.207 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 43.7 m170 64.78 24.93 12.9 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.74 0.416 . . . . 0.0 110.77 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.447 ' H ' HG23 ' A' ' 91' ' ' VAL . 14.4 t60 -84.53 55.96 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.325 0.583 . . . . 0.0 110.947 -173.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 98' ' ' ARG . 18.7 tt -157.63 146.52 10.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.433 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -88.34 46.03 1.34 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -174.023 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.566 ' HE3' ' HB3' ' A' ' 28' ' ' LYS . 46.5 mttp 69.91 -65.76 0.3 Allowed 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 167.372 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.556 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 36.1 pttt -56.25 -46.48 79.59 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -170.517 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.556 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -71.44 -22.81 61.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.934 0.397 . . . . 0.0 110.263 -175.669 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.463 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 86.1 t80 -64.29 -44.63 91.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.834 177.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -67.22 -38.16 84.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.414 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -56.92 -50.64 71.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.559 176.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.43 -51.24 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.556 176.715 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 45.4 m -56.44 -43.27 79.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.246 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -65.12 -49.78 68.63 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.603 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.7 m -58.39 -37.13 74.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.209 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.554 HG13 HG13 ' A' ' 78' ' ' VAL . 73.9 t -72.2 -52.43 24.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.99 177.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 107' ' ' LEU . 17.8 mt -60.8 -38.13 84.33 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -176.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -58.8 -49.51 77.43 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.895 0.379 . . . . 0.0 110.053 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.41 ' HB ' HG21 ' A' ' 78' ' ' VAL . 28.5 m -64.25 -39.42 93.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.748 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 74.0 mt -61.76 -44.28 97.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.67 177.284 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -63.07 -35.31 79.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.67 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.402 ' HB1' ' CB ' ' A' ' 69' ' ' TYR . . . -61.46 -49.41 76.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.222 178.808 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 39.0 t -70.68 -38.57 73.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.527 0.68 . . . . 0.0 110.032 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -57.84 -39.9 78.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.544 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -72.06 -51.2 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.082 -178.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -57.92 -45.68 86.16 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 123.157 0.285 . . . . 0.0 111.759 -177.315 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.411 ' HB ' HD13 ' A' ' 7' ' ' LEU . 65.4 mt -64.94 -47.05 89.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.808 0.337 . . . . 0.0 111.027 -179.357 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.95 -28.48 67.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.058 0.456 . . . . 0.0 110.771 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 50.2 ttm-85 -70.3 -30.84 67.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -80.58 -35.7 33.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.233 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' A' ' 122' ' ' SER . 7.3 t70 -96.79 -170.29 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.727 -178.096 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.457 ' H ' ' CG ' ' A' ' 121' ' ' ASP . 14.9 m -95.38 142.45 27.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.731 -172.003 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.45 ' HD3' ' N ' ' A' ' 123' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.233 178.009 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.0 mmt . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.668 0.271 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -101.77 95.61 6.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.03 0.443 . . . . 0.0 110.216 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -138.17 -2.59 1.84 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.124 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -109.3 -170.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.17 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 m 63.04 -92.34 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.647 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.44 ' HG ' HD13 ' A' ' 117' ' ' ILE . 40.8 tp -95.62 -29.84 14.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.504 -176.322 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.499 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 3.1 mm? -68.24 -48.86 63.98 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.24 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -48.7 -42.75 35.96 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.785 0.678 . . . . 0.0 112.441 -173.002 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 60.3 mtm -63.51 -42.69 98.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.366 . . . . 0.0 110.694 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.452 ' O ' HG13 ' A' ' 14' ' ' ILE . 18.0 m -69.15 -47.34 65.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.341 178.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 16.7 mm-40 -52.18 -44.82 64.85 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.173 0.511 . . . . 0.0 110.616 176.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.438 ' O ' HG23 ' A' ' 16' ' ' VAL . 57.1 tp60 -60.39 -49.46 77.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.838 177.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 64.1 mtt -61.1 -38.48 86.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.243 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 10' ' ' THR . 84.3 mt -61.58 -48.89 86.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.825 0.345 . . . . 0.0 110.581 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -61.04 -45.96 92.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.755 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 12' ' ' GLN . 85.5 t -61.65 -48.29 89.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.689 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.22 94.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.131 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -61.19 -51.24 69.83 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.394 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.563 ' HE3' ' N ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -67.78 -29.35 68.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.209 -176.659 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.78 -46.79 71.71 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.955 176.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.45 -38.45 84.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.015 0.436 . . . . 0.0 110.357 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.42 -45.07 92.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.325 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.411 HH21 ' HA ' ' A' ' 29' ' ' ASN . 3.6 tmt_? -65.84 -35.82 81.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.227 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -68.78 -36.87 78.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.611 177.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -65.11 -32.47 74.18 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.755 -178.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -87.02 -38.17 16.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.174 176.388 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.21 27.12 73.29 Favored Glycine 0 C--N 1.332 0.315 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -174.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -83.81 108.89 17.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.078 -0.561 . . . . 0.0 110.838 -172.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.411 ' HA ' HH21 ' A' ' 23' ' ' ARG . 20.0 p-10 -107.14 103.95 13.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.306 0.574 . . . . 0.0 109.816 176.153 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.0 t -94.17 111.68 23.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.394 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.1 m120 66.44 -174.89 0.19 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.642 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -106.54 51.4 0.75 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.339 0.59 . . . . 0.0 109.936 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.1 m -93.88 10.25 34.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.635 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -108.24 24.38 13.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.49 -176.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.47 61.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.196 -177.563 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.5 t80 56.36 -84.48 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.305 1.042 . . . . 0.0 112.586 174.048 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -71.09 -2.61 16.2 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -171.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -76.76 -83.18 0.07 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.12 0.486 . . . . 0.0 110.916 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.2 p -95.24 -26.72 15.84 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.21 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.0 mt -84.75 52.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.658 0.742 . . . . 0.0 110.256 -176.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.457 ' HB3' ' CD ' ' A' ' 42' ' ' PRO . 86.7 tttt -144.59 -66.2 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.687 177.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.457 ' CD ' ' HB3' ' A' ' 41' ' ' LYS . 20.7 Cg_endo -60.33 -47.33 14.76 Favored 'Trans proline' 0 C--N 1.361 1.227 0 C-N-CA 121.647 1.564 . . . . 0.0 112.044 -176.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.28 90.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.53 -48.33 85.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.578 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.97 -42.98 99.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.265 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 7.5 mm-40 -58.37 -51.63 68.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.495 177.461 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -70.46 -25.72 63.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.358 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -65.23 -52.57 53.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.959 0.409 . . . . 0.0 109.961 176.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.7 -34.56 77.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.101 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 10.8 tp -59.09 -49.64 77.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.92 177.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.469 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -62.63 -32.0 72.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.466 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.16 -57.26 9.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.642 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -35.63 81.78 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.9 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -62.29 -49.27 76.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.174 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.31 98.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.741 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.17 -43.82 95.53 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.347 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.49 -37.86 69.15 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.36 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.545 ' HB1' HD13 ' A' ' 75' ' ' ILE . . . -67.96 -45.72 73.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.22 -35.44 77.21 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.842 177.045 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.5 ' O ' HG23 ' A' ' 64' ' ' VAL . 8.0 tp10 -62.06 -53.67 52.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.944 173.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.6 tp -57.06 -48.67 77.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.66 -174.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.516 HD13 HD12 ' A' ' 75' ' ' ILE . 39.3 pt -68.67 -28.63 40.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -172.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -83.47 -22.31 32.59 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 119.511 -0.876 . . . . 0.0 110.598 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 60' ' ' GLU . 65.0 t -83.23 -43.92 18.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.883 0.373 . . . . 0.0 110.24 177.368 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.403 ' NH1' ' HA ' ' A' ' 120' ' ' GLU . 7.6 ptm180 -130.87 131.12 44.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.832 176.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -73.82 119.22 75.0 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.355 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -78.69 159.01 28.34 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 123.307 2.671 . . . . 0.0 112.917 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -102.97 -30.58 10.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.185 -176.329 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -107.23 -57.11 2.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.047 0.451 . . . . 0.0 110.658 -176.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.8 p -75.99 154.21 6.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.5 -176.444 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -133.57 155.29 49.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.012 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -56.49 -43.05 79.29 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.716 0.635 . . . . 0.0 110.61 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -60.24 -37.38 80.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.952 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -69.13 -45.16 70.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.765 -176.568 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.545 HD13 ' HB1' ' A' ' 58' ' ' ALA . 73.3 mt -57.72 -41.61 79.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.588 -174.121 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -71.13 -38.49 72.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.163 0.506 . . . . 0.0 110.35 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.4 -44.42 78.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.826 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.402 HG21 HG21 ' A' ' 109' ' ' THR . 76.7 t -65.5 -39.89 86.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.234 -178.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.469 ' HG3' ' HB1' ' A' ' 51' ' ' ALA . 75.7 tttt -54.37 -43.75 71.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.187 0.518 . . . . 0.0 111.01 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -77.31 -51.49 10.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.135 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -62.23 -25.6 67.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.06 -176.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.477 ' O ' HG23 ' A' ' 86' ' ' VAL . 77.2 t80 -65.08 -49.12 71.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.882 0.373 . . . . 0.0 110.074 176.169 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 48.3 mt -64.78 -39.6 93.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.393 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.34 -46.72 87.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.478 175.117 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.41 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 5.4 tt -59.1 -46.14 89.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.545 -178.503 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 82' ' ' PHE . 84.1 t -56.53 -49.48 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.713 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.0 tp -63.07 -46.62 86.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.256 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.41 ' HG2' ' HA ' ' A' ' 85' ' ' LEU . 12.3 pt20 -74.36 -16.33 60.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.589 -175.421 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.6 t -72.34 -32.17 66.26 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.913 0.387 . . . . 0.0 110.611 178.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -78.28 -57.8 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.143 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.5 m -87.79 -12.05 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -172.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 66.0 m170 61.6 38.78 15.2 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.954 0.407 . . . . 0.0 111.039 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -87.2 64.24 8.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.215 0.531 . . . . 0.0 110.058 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.0 tt -178.6 162.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.238 -0.892 . . . . 0.0 108.736 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -98.14 162.62 13.11 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.804 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -56.24 -56.89 15.45 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.205 0.816 . . . . 0.0 113.205 -168.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -64.46 -33.74 76.58 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.697 0.284 . . . . 0.0 111.568 -171.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -76.39 -39.12 54.54 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -60.68 -44.84 96.02 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.964 0.411 . . . . 0.0 109.906 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.417 ' HD2' ' O ' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -60.97 -43.06 99.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.844 178.723 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.48 -51.57 69.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.006 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.441 ' O ' HG23 ' A' ' 106' ' ' VAL . 79.7 mt -60.83 -49.12 85.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.732 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.6 m -56.4 -46.85 79.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.04 -48.63 80.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.695 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.3 t -56.32 -45.34 80.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.897 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.446 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 94.9 t -64.24 -54.01 36.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.34 -42.68 92.07 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.552 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -60.02 -46.72 88.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 0.0 110.2 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 113' ' ' VAL . 41.6 m -65.03 -40.85 95.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.763 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 89.3 mt -60.41 -41.57 94.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.617 0.246 . . . . 0.0 110.671 177.435 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -61.7 -39.2 90.64 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.262 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.22 -46.46 73.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.352 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 117' ' ' ILE . 61.9 t -68.45 -43.78 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.181 0.515 . . . . 0.0 109.92 -176.804 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -55.23 -45.69 75.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.313 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -64.08 -52.87 57.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.463 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.442 ' HA ' ' HB3' ' A' ' 119' ' ' ARG . 26.3 mt-10 -67.17 -33.96 76.51 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -172.527 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 113' ' ' VAL . 68.5 mt -61.44 -42.25 93.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.069 175.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.425 ' HB3' ' HD3' ' A' ' 123' ' ' ARG . . . -81.25 -20.94 39.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.192 0.52 . . . . 0.0 110.651 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.442 ' HB3' ' HA ' ' A' ' 116' ' ' GLU . 18.3 ttm180 -90.48 5.22 48.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.921 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.403 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 9.9 pt-20 -52.16 -35.13 47.76 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.498 173.516 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -126.62 -81.37 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.12 174.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.1 m -147.67 121.61 9.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.531 -177.083 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.425 ' HD3' ' HB3' ' A' ' 118' ' ' ALA . 38.6 ptt85 . . . . . 0 C--N 1.327 -0.401 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 168.73 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.8 mtp . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.873 0.368 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -89.79 127.59 35.99 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -86.9 82.51 7.78 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.31 -175.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -81.22 126.47 31.56 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 171.078 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.7 126.09 30.32 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.213 0.53 . . . . 0.0 111.717 -174.886 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.0 tp -66.26 -43.61 85.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.821 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.8 tp -64.67 -44.51 90.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.751 -177.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.444 ' HA ' ' HB2' ' A' ' 11' ' ' GLU . 38.1 mt-10 -63.7 -34.59 78.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.49 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 52.5 ttp -62.0 -43.59 98.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.472 ' O ' HG13 ' A' ' 14' ' ' ILE . 23.9 m -69.8 -42.84 73.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.225 176.451 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 34.6 mm-40 -53.25 -41.27 65.31 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.455 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -63.17 -49.53 73.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.767 178.58 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 89.5 mtp -59.81 -41.48 91.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.215 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 10' ' ' THR . 74.5 mt -64.55 -48.96 82.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.838 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.61 -42.13 91.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.165 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 12' ' ' GLN . 88.1 t -61.54 -43.96 97.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 120.817 0.342 . . . . 0.0 110.58 178.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.401 ' HB3' HD21 ' A' ' 107' ' ' LEU . . . -65.5 -40.69 93.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 48.6 mt-10 -62.05 -45.5 93.25 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.971 0.415 . . . . 0.0 110.691 177.237 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -64.25 -43.9 93.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.833 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.32 -49.03 83.02 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.109 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.625 ' HB2' HG21 ' A' ' 103' ' ' THR . . . -59.94 -47.72 84.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.406 . . . . 0.0 110.76 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.93 -44.57 97.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.31 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.424 ' HA ' ' HD2' ' A' ' 23' ' ' ARG . 10.6 tpt85 -66.69 -39.54 88.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.234 0.54 . . . . 0.0 110.253 -177.659 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.622 ' HE1' ' HA ' ' A' ' 96' ' ' LYS . 21.6 t80 -68.0 -36.39 79.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.245 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -69.23 -34.77 75.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.188 -178.04 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -73.08 -41.34 64.21 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.014 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.42 -97.56 1.06 Allowed Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.309 177.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -176.22 172.28 2.35 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -177.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -132.22 -87.95 0.45 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 170.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.4 p -119.29 4.32 11.27 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.644 0.735 . . . . 0.0 109.501 172.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -84.18 117.0 23.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.23 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -161.52 43.6 0.16 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.491 0.662 . . . . 0.0 109.847 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.1 t -79.56 85.6 5.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.565 -178.086 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.655 ' HA ' ' HB2' ' A' ' 38' ' ' GLU . 14.6 p90 -173.26 139.42 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.7 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -151.13 71.01 1.0 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.26 0.552 . . . . 0.0 109.725 169.61 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.2 t80 72.27 -16.39 0.43 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 114.976 -1.011 . . . . 0.0 113.0 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -121.79 -45.96 2.25 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.552 -0.718 . . . . 0.0 112.658 -176.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.655 ' HB2' ' HA ' ' A' ' 34' ' ' TYR . 7.7 mm-40 -40.46 -74.18 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -174.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.9 p -92.23 -7.22 48.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.197 0.522 . . . . 0.0 111.245 -177.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.489 ' O ' HG22 ' A' ' 40' ' ' ILE . 4.1 mp -93.92 10.94 3.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.963 0.887 . . . . 0.0 109.989 -175.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.555 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 57.7 tptt -106.53 -66.82 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.181 175.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.555 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 46.4 Cg_endo -67.1 -45.41 3.97 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 121.721 1.614 . . . . 0.0 112.806 -173.607 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.17 90.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.2 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.89 -47.98 81.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.852 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 49.1 mt-10 -56.71 -46.66 81.14 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.824 0.345 . . . . 0.0 111.228 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 7.3 mm-40 -61.63 -52.93 62.33 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.058 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -76.28 -25.98 55.45 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -172.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.58 ' HA ' HD21 ' A' ' 83' ' ' LEU . 36.6 t70 -61.95 -50.45 72.07 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 175.502 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -47.65 83.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.919 172.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 6.5 tp -55.2 -52.18 64.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.54 -176.344 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.57 -40.09 94.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.519 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.95 -43.91 86.58 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.162 0.506 . . . . 0.0 110.752 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 53' ' ' ARG . 4.2 ttt85 -65.89 -41.97 90.88 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.466 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -61.1 -48.59 80.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.484 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.8 -45.91 85.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -59.48 -46.88 87.52 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.544 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.04 -40.83 83.36 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.376 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.34 96.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.647 0.261 . . . . 0.0 111.047 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 59' ' ' LEU . 30.4 mt -60.78 -38.01 83.84 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.993 177.183 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -68.92 -40.97 78.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.051 0.453 . . . . 0.0 109.832 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.85 -50.9 71.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.413 -178.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 34.8 pt -72.52 -18.05 18.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.949 0.404 . . . . 0.0 111.432 -177.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -81.96 -50.43 9.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.933 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.9 t -83.55 -37.25 13.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.573 -174.637 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.455 ' HE ' ' CD ' ' A' ' 120' ' ' GLU . 30.0 tpt180 -100.53 -99.83 0.25 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.171 -176.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -155.34 134.62 7.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 -172.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -92.32 104.02 0.2 Allowed 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.799 2.333 . . . . 0.0 110.565 168.423 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.643 ' HE3' ' OE1' ' A' ' 116' ' ' GLU . 8.3 mtmt -93.8 -58.12 2.35 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.473 -174.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.487 ' CB ' ' HB1' ' A' ' 112' ' ' ALA . 71.2 m-85 -105.36 -54.0 2.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.281 0.562 . . . . 0.0 109.745 178.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.8 p -74.03 154.09 6.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.918 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -123.99 164.91 18.39 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -57.3 -38.92 74.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.373 . . . . 0.0 110.27 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -59.5 -44.62 93.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.644 177.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 78' ' ' VAL . 14.9 mm100 -66.93 -37.07 83.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.838 -175.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.3 mm -58.25 -45.01 89.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.919 0.39 . . . . 0.0 110.971 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -72.27 -29.78 64.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.453 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.01 -47.79 60.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.702 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.537 HG13 HG13 ' A' ' 106' ' ' VAL . 98.4 t -61.47 -41.56 90.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.683 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.7 tttm -52.8 -54.27 36.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.799 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.59 -38.47 54.79 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.436 -175.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -66.51 -33.92 76.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.253 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -64.23 -36.68 84.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.914 0.387 . . . . 0.0 110.516 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.58 HD21 ' HA ' ' A' ' 48' ' ' ASP . 58.8 mt -65.23 -48.87 71.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.204 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 46.2 mt-10 -61.17 -40.68 94.79 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.211 177.181 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.548 HD11 HG23 ' A' ' 103' ' ' THR . 6.7 tt -52.56 -53.45 46.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.702 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 68.3 t -60.23 -46.08 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.011 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.2 tp -63.73 -52.08 62.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.686 -176.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 4.6 pt20 -71.75 -18.81 62.11 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.466 -174.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.8 t -66.13 -40.81 90.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.319 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -80.31 -49.73 11.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.448 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.426 HG22 ' HA ' ' A' ' 88' ' ' GLN . 31.6 m -73.93 -21.53 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.332 -0.395 . . . . 0.0 112.035 -174.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 56.46 56.12 5.94 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.319 0.58 . . . . 0.0 110.188 -178.415 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -74.03 -11.98 60.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.679 -175.152 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.691 HD12 ' HB2' ' A' ' 98' ' ' ARG . 10.6 pt -132.52 -178.36 2.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.333 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -80.64 -70.38 0.53 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.702 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.622 ' HA ' ' HE1' ' A' ' 24' ' ' TYR . 38.4 ttmt -162.6 -60.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -173.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -52.74 -47.6 67.3 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -169.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.691 ' HB2' HD12 ' A' ' 94' ' ' ILE . 42.5 mtp180 -60.79 -40.41 92.55 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.952 -175.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.525 ' HB2' HD11 ' A' ' 94' ' ' ILE . 85.6 t80 -69.33 -44.52 71.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.067 0.461 . . . . 0.0 110.245 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -58.45 -47.93 82.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.485 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -58.95 -52.47 65.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.92 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 106' ' ' VAL . 82.8 mt -57.83 -51.57 68.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.993 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.625 HG21 ' HB2' ' A' ' 21' ' ' ALA . 27.1 m -60.6 -42.09 96.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.961 0.41 . . . . 0.0 111.186 -176.185 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -66.61 -43.26 85.25 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.305 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.1 m -60.76 -38.65 85.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.742 177.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.537 HG13 HG13 ' A' ' 78' ' ' VAL . 88.1 t -66.65 -51.17 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.831 176.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.401 HD21 ' HB3' ' A' ' 17' ' ' ALA . 67.3 mt -57.01 -45.12 83.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.765 0.317 . . . . 0.0 111.178 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -55.37 -43.52 75.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.592 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 113' ' ' VAL . 25.1 m -74.36 -35.31 63.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.171 -178.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 83.3 mt -63.49 -42.19 98.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.793 0.33 . . . . 0.0 110.882 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 63.2 m80 -67.9 -30.38 69.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.404 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.487 ' HB1' ' CB ' ' A' ' 69' ' ' TYR . . . -62.53 -49.03 76.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.456 177.006 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 117' ' ' ILE . 47.5 t -63.5 -47.37 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.117 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -56.72 -47.15 80.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.488 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.01 -46.77 88.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.257 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.643 ' OE1' ' HE3' ' A' ' 68' ' ' LYS . 13.6 pt-20 -72.3 -25.99 61.79 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -176.507 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 113' ' ' VAL . 85.0 mt -67.24 -53.06 36.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.963 0.411 . . . . 0.0 110.298 172.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.27 -31.34 72.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.323 0.582 . . . . 0.0 110.679 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 52.1 ttm-85 -63.21 -33.69 76.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.307 177.324 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.455 ' CD ' ' HE ' ' A' ' 65' ' ' ARG . 3.4 tp10 -72.64 -53.85 10.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.359 178.7 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -146.68 137.14 23.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.695 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.4 m -154.66 9.55 0.34 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.283 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 . . . . . 0 C--N 1.328 -0.352 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.244 -176.278 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.7 mtp . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 35.1 tp -61.69 134.08 56.35 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -81.55 106.68 13.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.999 -177.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.471 ' HG2' ' O ' ' A' ' 122' ' ' SER . 0.1 OUTLIER -112.09 103.36 11.54 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 177.762 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 11.6 m -62.04 90.21 0.03 OUTLIER 'General case' 0 C--O 1.239 0.532 0 O-C-N 123.829 0.706 . . . . 0.0 111.602 -174.281 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 5' ' ' THR . 47.9 tp 170.54 -36.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.187 -175.462 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.523 HD11 ' HG3' ' A' ' 114' ' ' LYS . 58.9 tp -62.79 -36.51 83.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.731 -178.108 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.52 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 26.0 mp0 -60.9 -31.35 70.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.82 -177.346 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.475 ' CE ' ' HA ' ' A' ' 54' ' ' TRP . 52.2 ttp -68.34 -42.19 79.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.036 0.446 . . . . 0.0 110.049 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.492 ' O ' HG13 ' A' ' 14' ' ' ILE . 52.2 m -65.64 -43.78 88.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.052 175.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -63.58 -35.6 81.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.012 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -61.28 -45.28 95.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.461 175.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.559 ' SD ' HD21 ' A' ' 110' ' ' LEU . 49.4 ttm -64.6 -38.02 89.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.374 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 10' ' ' THR . 76.7 mt -57.86 -51.11 74.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 121.184 0.516 . . . . 0.0 110.41 176.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.35 -51.15 71.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.634 -178.197 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.9 t -60.69 -43.89 95.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.67 0.272 . . . . 0.0 110.907 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.82 -45.87 80.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.749 0.309 . . . . 0.0 111.063 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -69.44 -36.18 76.38 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' HA ' ' HB3' ' A' ' 22' ' ' ASP . 37.3 mttp -79.11 -26.43 42.92 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.577 178.123 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.19 -43.43 93.1 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 171.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -66.53 -38.01 86.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.521 -0.339 . . . . 0.0 110.538 174.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.413 ' HB3' ' HA ' ' A' ' 19' ' ' LYS . 20.3 t70 -59.59 -43.27 93.72 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.774 177.489 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -58.1 -47.0 84.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.899 175.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -58.24 -40.13 80.92 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.904 176.394 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 74.7 mt-30 -64.6 -32.07 73.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.191 -179.003 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 22' ' ' ASP . 47.6 mt-10 -76.39 -20.96 56.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.135 0.493 . . . . 0.0 110.072 176.056 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.5 176.61 14.83 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.538 177.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.4 pttt -77.37 82.57 3.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.763 0.792 . . . . 0.0 109.954 176.115 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -80.55 35.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.304 -176.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.0 t -106.99 12.94 28.13 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -57.94 -44.15 86.76 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.355 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.417 ' O ' ' HB2' ' A' ' 33' ' ' SER . 10.2 t-80 -131.98 129.0 39.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.898 174.772 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 32' ' ' HIS . 50.4 m 74.99 -172.78 0.11 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.865 0.728 . . . . 0.0 110.514 -176.468 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 65.77 55.07 1.0 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.585 0.707 . . . . 0.0 110.153 -174.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.88 ' HB3' ' HG3' ' A' ' 38' ' ' GLU . 22.6 t70 -74.94 154.61 38.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.314 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -52.59 -46.01 66.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.39 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -79.72 -16.77 55.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.648 0.261 . . . . 0.0 111.477 -173.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.88 ' HG3' ' HB3' ' A' ' 35' ' ' ASP . 59.1 mt-10 -72.17 -44.34 63.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.285 0.564 . . . . 0.0 110.473 177.555 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -106.22 -45.3 4.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.865 -170.214 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.2 mm -84.83 62.76 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.507 0.67 . . . . 0.0 111.189 -171.428 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.509 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 27.5 tptp -166.81 -62.08 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.475 171.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.509 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 30.2 Cg_endo -63.48 -41.4 26.12 Favored 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 121.836 1.69 . . . . 0.0 111.795 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.12 -37.27 69.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.859 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.0 t -59.54 -40.52 82.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.787 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 73.0 mm-40 -56.07 -44.51 79.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.317 0.58 . . . . 0.0 110.807 177.325 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -70.25 -46.64 64.02 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.164 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -54.88 -49.39 71.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.536 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -56.5 -53.98 51.15 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.543 0.527 . . . . 0.0 110.865 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.31 -41.21 88.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.243 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 tp -61.5 -52.95 62.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.627 -178.174 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.63 -42.14 99.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.767 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.37 -46.03 81.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.903 0.382 . . . . 0.0 111.211 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -36.36 78.48 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.725 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.475 ' HA ' ' CE ' ' A' ' 9' ' ' MET . 69.7 t90 -61.93 -43.05 99.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.406 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.93 -45.45 82.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.523 177.585 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -58.24 -48.12 81.41 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.236 177.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.24 -43.91 98.78 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.682 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.79 -44.6 80.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.969 0.414 . . . . 0.0 110.982 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 61.4 mt -63.2 -35.03 78.95 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.059 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.64 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 8.5 tp10 -55.19 -51.14 67.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.871 176.008 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.06 -39.77 94.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.881 -176.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.481 HG22 ' CG ' ' A' ' 67' ' ' PRO . 23.0 pt -72.77 -26.71 23.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -174.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.64 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 5.6 ptmm? -81.39 -28.89 34.16 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.922 0.391 . . . . 0.0 110.421 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 60' ' ' GLU . 95.6 t -82.22 -40.51 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.288 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -149.72 -175.16 4.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.768 0.318 . . . . 0.0 111.304 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -96.89 120.62 61.28 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.442 -178.141 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.481 ' CG ' HG22 ' A' ' 62' ' ' ILE . 2.0 Cg_endo -82.14 162.17 17.86 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.124 2.549 . . . . 0.0 111.077 173.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.541 ' HB2' ' NZ ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -105.63 -48.8 3.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.673 0.273 . . . . 0.0 111.334 -176.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -92.98 -53.11 4.28 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -174.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.98 149.24 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.984 0.421 . . . . 0.0 111.636 -171.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -131.89 155.41 47.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.149 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -60.47 -44.06 96.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.731 -176.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -56.14 -35.09 66.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.042 0.448 . . . . 0.0 111.124 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.536 ' O ' HG23 ' A' ' 78' ' ' VAL . 13.8 mm-40 -70.15 -46.36 64.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.192 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.0 mt -58.17 -41.28 80.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.599 -177.061 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -73.02 -26.65 61.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.035 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.48 -42.04 26.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.154 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 74' ' ' GLN . 82.0 t -54.79 -38.34 43.7 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.178 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.86 -176.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -56.75 -51.52 68.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.893 0.378 . . . . 0.0 111.273 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -76.2 -43.01 44.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.361 -176.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.523 ' HB3' HG23 ' A' ' 102' ' ' ILE . 5.7 m-20 -58.78 -37.27 75.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.22 178.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -62.91 -47.53 82.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.807 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.73 -44.53 96.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 15.3 mm-40 -63.77 -45.41 89.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.849 176.371 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 89' ' ' SER . 6.4 tt -52.92 -52.64 57.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.471 -178.201 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.2 t -62.3 -46.7 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.912 0.387 . . . . 0.0 110.847 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.497 ' O ' HG22 ' A' ' 91' ' ' VAL . 59.6 tp -59.51 -54.07 50.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.341 -177.339 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.603 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 26.7 pt20 -83.22 1.01 42.87 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -174.069 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 85' ' ' LEU . 21.9 t -69.74 -27.34 64.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 175.162 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -104.61 -50.92 3.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.278 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 87' ' ' LEU . 29.6 m -77.69 -33.75 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -176.221 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 73.3 m80 57.27 89.93 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -113.47 30.5 7.17 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.982 0.42 . . . . 0.0 111.509 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.435 HD11 ' HB2' ' A' ' 99' ' ' PHE . 18.0 pt -136.21 -177.92 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.708 176.704 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -93.65 -76.55 0.47 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.055 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -148.97 -66.63 0.23 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -177.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -51.34 -45.37 62.29 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -170.032 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.57 -27.25 68.82 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -172.012 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.435 ' HB2' HD11 ' A' ' 94' ' ' ILE . 48.9 t80 -69.6 -44.23 71.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.154 0.502 . . . . 0.0 109.814 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -71.5 -39.83 70.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.278 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.68 -51.38 67.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.106 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.523 HG23 ' HB3' ' A' ' 81' ' ' ASN . 62.9 mt -58.29 -47.24 88.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.781 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 58.0 m -57.66 -46.15 84.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 0.0 110.734 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -62.73 -51.44 67.15 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.03 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.4 t -58.87 -39.49 81.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -176.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.531 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 92.4 t -68.56 -53.95 24.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.85 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.404 HD13 HD12 ' A' ' 110' ' ' LEU . 4.4 mm? -60.41 -38.17 83.2 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.56 0.208 . . . . 0.0 111.56 -178.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -60.76 -43.58 97.83 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.485 ' O ' HG23 ' A' ' 113' ' ' VAL . 38.5 m -67.43 -39.49 85.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.542 176.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.559 HD21 ' SD ' ' A' ' 13' ' ' MET . 97.0 mt -61.79 -44.1 97.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.032 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -62.17 -38.45 89.12 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.414 0.625 . . . . 0.0 109.686 176.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.548 ' O ' ' HG2' ' A' ' 116' ' ' GLU . . . -63.19 -44.96 93.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.056 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 109' ' ' THR . 95.5 t -72.64 -32.76 42.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.19 -177.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.523 ' HG3' HD11 ' A' ' 7' ' ' LEU . 60.3 tttt -55.36 -46.74 76.45 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.457 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.84 -45.68 85.08 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.99 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 112' ' ' ALA . 64.0 mm-40 -56.66 -48.19 78.14 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 123.394 0.434 . . . . 0.0 110.848 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.465 HG21 ' HB2' ' A' ' 7' ' ' LEU . 76.2 mt -61.43 -45.7 98.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.765 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.37 -16.43 61.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.406 ' HA ' ' HD2' ' A' ' 119' ' ' ARG . 21.0 tpt180 -88.24 -20.01 26.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.565 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -63.31 -55.03 28.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.963 173.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.7 t70 62.71 32.15 16.27 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.597 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.471 ' O ' ' HG2' ' A' ' 4' ' ' GLN . 4.1 m -141.47 169.41 17.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.792 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 74.2 mtt-85 . . . . . 0 N--CA 1.468 0.446 0 O-C-N 123.709 0.631 . . . . 0.0 112.37 176.49 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 98.2 mt 74.29 -177.63 0.17 Allowed 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.794 0.684 . . . . 0.0 111.818 178.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 p -118.94 179.59 4.11 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.276 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 56.37 -144.95 0.64 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -177.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.641 HG22 ' HB3' ' A' ' 8' ' ' GLU . 2.7 m 63.11 31.53 15.74 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.397 0.618 . . . . 0.0 110.7 173.262 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.474 ' HG ' HD13 ' A' ' 117' ' ' ILE . 51.2 tp -54.82 -44.59 74.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.908 -174.631 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.1 tp -69.23 -53.27 20.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.989 -177.073 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.641 ' HB3' HG22 ' A' ' 5' ' ' THR . 34.0 tt0 -64.37 -38.43 91.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.455 -176.26 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 44.8 ttp -61.22 -38.51 86.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.962 0.41 . . . . 0.0 110.081 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.557 ' O ' HG13 ' A' ' 14' ' ' ILE . 37.1 m -69.78 -49.5 52.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.317 176.002 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.26 -45.39 68.78 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.435 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.432 ' O ' HG23 ' A' ' 16' ' ' VAL . 57.0 tp60 -58.57 -48.51 80.66 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.28 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 50.3 ttm -62.97 -39.21 94.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.95 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.912 HG12 ' HB3' ' A' ' 110' ' ' LEU . 63.6 mt -65.66 -48.5 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.955 0.407 . . . . 0.0 110.215 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.483 ' HG2' ' HD2' ' A' ' 19' ' ' LYS . 41.4 tt0 -66.74 -37.06 83.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.722 -177.571 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 12' ' ' GLN . 53.5 t -64.5 -34.48 69.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.87 0.367 . . . . 0.0 110.609 176.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.63 -46.47 38.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.046 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -67.02 -41.17 87.07 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.701 0.286 . . . . 0.0 111.092 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.483 ' HD2' ' HG2' ' A' ' 15' ' ' GLU . 56.1 mttm -74.65 -18.13 60.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.322 174.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.31 -47.95 55.05 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.062 -0.59 . . . . 0.0 111.751 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' HA ' ' HE2' ' A' ' 99' ' ' PHE . . . -62.83 -40.0 96.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.288 0.566 . . . . 0.0 110.176 176.102 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.08 -46.24 89.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.82 176.071 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -69.82 -29.58 66.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.779 -178.302 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -65.99 -34.75 78.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.966 0.412 . . . . 0.0 110.362 175.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -63.8 -39.41 94.17 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -73.65 -34.13 64.82 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.604 174.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.62 16.66 2.35 Favored Glycine 0 C--N 1.331 0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 114.243 -172.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.49 ' HE2' ' HB3' ' A' ' 28' ' ' LYS . 5.0 tmmm? -71.27 -26.07 62.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 170.035 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.3 p30 -119.67 179.19 4.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.556 176.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.9 t -84.52 91.18 7.8 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 172.591 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -72.71 -38.44 67.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.828 -174.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -141.18 -162.74 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 177.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.7 m -71.83 64.42 0.49 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.535 0.683 . . . . 0.0 110.343 173.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -92.99 7.42 44.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.865 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -78.39 57.19 1.88 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.321 0.581 . . . . 0.0 110.15 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.62 ' HA ' ' CG1' ' A' ' 40' ' ' ILE . 80.8 m-85 61.96 -178.18 0.13 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.274 -0.876 . . . . 0.0 112.529 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 56.6 t80 65.28 -82.3 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.576 174.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.87 -42.75 99.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.728 0.299 . . . . 0.0 111.403 -173.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.5 m -91.88 -31.29 15.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.126 0.489 . . . . 0.0 110.962 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.62 ' CG1' ' HA ' ' A' ' 36' ' ' PHE . 35.6 mm -96.0 57.2 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 110.756 -175.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.592 ' HB2' ' HD3' ' A' ' 42' ' ' PRO . 9.7 mtpm? -148.56 -60.98 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.969 172.039 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.592 ' HD3' ' HB2' ' A' ' 41' ' ' LYS . 12.8 Cg_exo -69.65 -46.45 1.27 Allowed 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 121.905 1.737 . . . . 0.0 112.213 -175.6 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.82 -39.15 80.33 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.14 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.3 t -63.96 -45.65 96.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.723 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 43.2 mt-10 -64.58 -47.86 77.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.391 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -61.49 -49.46 76.66 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.93 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -63.03 -37.94 89.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.812 -177.252 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.595 ' HA ' HD21 ' A' ' 83' ' ' LEU . 24.3 t70 -62.33 -50.67 70.7 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.111 176.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -53.66 -49.3 68.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.679 173.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.5 tp -57.79 -49.57 76.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.621 -177.21 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.49 -44.45 95.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.454 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.56 -40.82 84.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.882 0.373 . . . . 0.0 111.27 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -74.09 -37.38 64.2 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.271 -177.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -63.3 -45.53 90.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.076 0.465 . . . . 0.0 110.162 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.477 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -59.34 -48.88 79.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.816 178.054 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -57.45 -46.51 83.52 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.93 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.16 -41.08 98.52 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.345 179.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.447 ' HB1' HD13 ' A' ' 75' ' ' ILE . . . -65.14 -34.43 78.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 178.388 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 83.6 mt -63.69 -38.91 92.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 177.471 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -61.42 -44.62 96.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.783 176.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.86 -50.54 73.01 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.075 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.77 HG22 ' HG3' ' A' ' 67' ' ' PRO . 37.9 pt -69.85 -18.43 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 111.835 -176.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -83.13 -28.06 29.69 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.999 0.428 . . . . 0.0 110.564 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.522 HG12 ' HG3' ' A' ' 65' ' ' ARG . 71.1 t -92.4 -50.29 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.092 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.522 ' HG3' HG12 ' A' ' 64' ' ' VAL . 52.3 mtp85 -124.58 -174.59 3.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.556 -174.608 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.464 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 79.9 mtt180 -109.53 137.06 20.23 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 120.688 0.28 . . . . 0.0 111.295 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.77 ' HG3' HG22 ' A' ' 62' ' ' ILE . 2.9 Cg_exo -75.59 168.32 24.65 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.771 2.314 . . . . 0.0 111.236 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -112.18 -35.14 5.72 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.57 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -126.34 -60.75 1.25 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.506 -177.231 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 p -54.98 144.71 5.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-O 121.367 0.603 . . . . 0.0 112.198 -178.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -113.79 148.24 36.92 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.673 ' HE2' HD12 ' A' ' 62' ' ' ILE . 16.4 ptpt -62.84 -39.0 93.01 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -170.103 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -67.62 -29.95 69.4 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.227 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.531 ' O ' HG23 ' A' ' 78' ' ' VAL . 15.2 mm-40 -61.77 -36.12 80.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.206 177.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.447 HD13 ' HB1' ' A' ' 58' ' ' ALA . 68.4 mt -63.61 -41.44 92.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.781 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.99 -34.74 75.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.34 178.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.46 -43.86 84.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.635 178.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 74' ' ' GLN . 79.8 t -56.46 -43.53 78.1 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.067 179.069 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -55.81 -48.96 74.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.701 0.286 . . . . 0.0 111.404 -178.185 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -71.9 -42.02 67.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.981 0.419 . . . . 0.0 110.665 -178.203 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -68.99 -33.73 74.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.889 -177.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -65.85 -39.85 91.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.089 0.471 . . . . 0.0 110.234 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.595 HD21 ' HA ' ' A' ' 48' ' ' ASP . 91.3 mt -67.17 -36.23 81.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.464 177.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 22.5 tt0 -73.96 -32.58 63.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.348 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.5 tt -55.8 -51.27 68.04 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.903 175.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.0 t -60.61 -41.82 89.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.3 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.608 ' O ' HG22 ' A' ' 91' ' ' VAL . 49.6 tp -58.61 -59.32 5.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.099 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.531 ' HB3' ' HB ' ' A' ' 94' ' ' ILE . 96.6 mt-30 -52.06 -43.11 63.65 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.486 0.491 . . . . 0.0 111.333 -176.118 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.7 m -58.82 -55.73 31.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.625 -176.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -80.3 -33.94 37.23 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -170.264 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.608 HG22 ' O ' ' A' ' 87' ' ' LEU . 14.7 m -88.27 -6.83 10.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.882 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 39.4 m80 58.7 30.69 20.29 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.589 176.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -83.16 -7.2 59.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.337 0.589 . . . . 0.0 110.293 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.858 HD11 ' HB2' ' A' ' 98' ' ' ARG . 10.5 tp -96.93 144.76 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.381 175.421 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -82.64 -71.98 0.47 Allowed 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.526 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.596 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -150.67 -75.73 0.15 Allowed 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -177.309 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -58.13 -55.83 29.94 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -169.641 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.858 ' HB2' HD11 ' A' ' 94' ' ' ILE . 69.1 mtt180 -53.19 -39.76 63.89 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -168.121 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.702 ' HB2' HG12 ' A' ' 94' ' ' ILE . 71.0 t80 -58.87 -53.71 55.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.796 0.331 . . . . 0.0 111.354 -177.225 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -67.18 -35.15 79.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.375 -175.135 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -67.55 -46.92 71.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.712 0.292 . . . . 0.0 110.663 177.083 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.418 ' O ' HG23 ' A' ' 106' ' ' VAL . 79.7 mt -57.28 -46.84 85.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.129 175.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.439 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 38.3 m -55.84 -49.6 72.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 176.7 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -62.42 -37.87 87.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.032 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.2 t -63.83 -38.89 92.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.947 0.403 . . . . 0.0 110.17 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 102' ' ' ILE . 94.6 t -71.9 -44.31 67.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.128 176.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 103' ' ' THR . 90.9 mt -59.21 -39.15 81.76 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.481 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -55.22 -46.06 75.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.119 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.514 ' O ' HG23 ' A' ' 113' ' ' VAL . 24.3 m -69.55 -43.49 72.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.83 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.912 ' HB3' HG12 ' A' ' 14' ' ' ILE . 90.6 mt -60.88 -43.15 98.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.694 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -70.75 -28.14 64.47 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.023 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.44 -49.45 66.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 174.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 109' ' ' THR . 52.9 t -62.24 -43.55 98.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.177 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -57.3 -43.97 83.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.076 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -60.29 -48.6 81.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.696 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.13 -42.37 99.17 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.398 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 113' ' ' VAL . 78.6 mt -61.87 -48.28 89.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 120.806 0.336 . . . . 0.0 110.752 177.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.734 ' HA ' ' HB2' ' A' ' 122' ' ' SER . . . -63.97 -31.38 72.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.225 0.536 . . . . 0.0 110.371 178.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 119' ' ' ARG . 0.0 OUTLIER -67.95 -50.07 58.07 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.383 175.622 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.448 ' OE1' ' HA ' ' A' ' 120' ' ' GLU . 4.9 mm-40 -59.54 -60.33 4.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.13 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -165.45 103.22 0.72 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.978 0.418 . . . . 0.0 111.476 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.734 ' HB2' ' HA ' ' A' ' 118' ' ' ALA . 74.4 m -159.51 142.22 13.93 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.201 173.022 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.443 ' HA ' ' NE ' ' A' ' 123' ' ' ARG . 4.3 mmp_? . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.955 0.407 . . . . 0.0 111.348 -178.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.0 mtm . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 120.782 0.325 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 tt -142.35 106.81 4.8 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -89.04 93.89 9.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.058 0.456 . . . . 0.0 110.089 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 1.1 tm0? -82.47 118.73 23.44 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.8 m -67.46 -46.71 72.23 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -168.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.6 tp -59.88 -46.27 89.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.243 0.544 . . . . 0.0 111.028 -176.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.6 tp -68.99 -40.96 78.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.257 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 4' ' ' GLN . 2.0 tm-20 -55.38 -44.76 76.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.189 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 71.6 mtm -63.11 -40.49 97.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.713 0.292 . . . . 0.0 110.603 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.444 ' O ' HG13 ' A' ' 14' ' ' ILE . 20.2 m -65.06 -48.84 72.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.993 0.425 . . . . 0.0 110.08 177.456 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -55.6 -44.98 77.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.734 177.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.453 ' O ' HG23 ' A' ' 16' ' ' VAL . 63.3 tt0 -64.78 -42.83 94.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.099 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 56.3 mtt -60.1 -40.56 90.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.044 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 10' ' ' THR . 69.0 mt -60.0 -46.35 94.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.022 0.439 . . . . 0.0 110.207 176.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -65.26 -41.36 94.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.099 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 12' ' ' GLN . 55.0 t -58.98 -43.18 88.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.793 0.33 . . . . 0.0 110.506 178.287 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.96 -48.53 79.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.785 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -62.06 -42.71 99.47 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.823 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -64.43 -45.72 86.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.703 0.287 . . . . 0.0 110.661 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.92 -37.46 94.96 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.496 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.56 ' HA ' ' CZ ' ' A' ' 99' ' ' PHE . . . -60.87 -47.32 86.94 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.078 0.466 . . . . 0.0 111.046 178.793 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -70.7 -40.9 72.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.317 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -60.32 -43.06 96.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.975 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.433 ' HE1' ' CD2' ' A' ' 92' ' ' HIS . 88.2 t80 -63.11 -34.64 78.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.495 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.48 -27.13 64.95 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -81.36 -19.08 43.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.809 175.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -78.69 61.28 4.01 Favored Glycine 0 C--O 1.23 -0.149 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 176.145 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -79.27 -17.75 54.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.001 0.429 . . . . 0.0 111.157 -173.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -95.32 123.41 38.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.518 -178.589 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.9 t -142.48 18.06 2.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.051 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -78.44 -36.09 45.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.204 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -106.45 142.73 35.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.756 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.1 m -88.73 141.5 28.46 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.057 0.456 . . . . 0.0 111.472 -176.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -102.89 160.17 14.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.516 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -82.65 144.77 30.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.592 0.234 . . . . 0.0 110.924 178.618 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.592 ' HA ' HD12 ' A' ' 40' ' ' ILE . 95.8 m-85 -76.8 83.23 3.39 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 173.343 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -161.95 176.6 10.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.384 -174.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 66.57 -88.26 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 123.367 0.667 . . . . 0.0 112.296 174.539 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.6 7.14 47.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.229 0.538 . . . . 0.0 111.458 -173.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 36' ' ' PHE . 71.8 mt -108.26 -48.75 7.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.426 -178.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.539 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 64.1 tttp -60.92 -62.38 6.1 Favored Pre-proline 0 CA--C 1.544 0.712 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -172.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.539 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 58.7 Cg_endo -71.41 -17.8 30.23 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.798 1.666 . . . . 0.0 112.816 -174.261 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.51 -34.81 74.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 40' ' ' ILE . 73.7 t -62.56 -53.3 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.59 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -56.21 -43.63 78.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.637 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -60.81 -58.99 6.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.494 0.664 . . . . 0.0 110.98 -179.019 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -67.73 -25.55 65.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.789 -175.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -65.85 -48.6 71.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 173.311 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -57.15 -48.16 79.4 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.516 174.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.08 -49.41 78.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.079 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.88 94.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.713 0.292 . . . . 0.0 111.455 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 56' ' ' GLU . . . -62.22 -51.45 67.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.561 178.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.558 HH21 ' CD ' ' A' ' 56' ' ' GLU . 2.2 mmp_? -63.18 -38.78 92.5 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.562 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 46.5 t90 -66.2 -44.43 83.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.248 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.46 95.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.359 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.558 ' CD ' HH21 ' A' ' 53' ' ' ARG . 49.0 mt-10 -60.54 -43.07 97.58 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.175 178.601 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.91 -44.39 55.8 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.608 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.426 ' O ' HG12 ' A' ' 62' ' ' ILE . . . -61.22 -47.04 87.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.795 0.331 . . . . 0.0 110.464 179.041 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.821 HD23 HD11 ' A' ' 62' ' ' ILE . 28.4 mt -61.27 -34.45 75.21 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.387 179.36 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -59.43 -53.64 55.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.008 0.432 . . . . 0.0 110.589 176.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.2 mp -68.28 -37.32 80.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.18 -175.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.821 HD11 HD23 ' A' ' 59' ' ' LEU . 34.9 pt -81.63 -13.25 12.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.607 -176.617 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -81.83 -39.18 24.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.988 0.423 . . . . 0.0 110.013 174.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.4 t -75.62 -40.5 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.446 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.7 mtp-105 -102.58 -163.09 0.97 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.583 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.414 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -121.2 125.99 26.74 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.514 170.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.731 ' HG3' ' HB ' ' A' ' 62' ' ' ILE . 36.1 Cg_exo -59.44 111.86 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.872 2.381 . . . . 0.0 111.744 179.511 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.499 ' HB2' ' NZ ' ' A' ' 68' ' ' LYS . 4.7 ttmp? -70.54 -72.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.171 -175.317 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.505 ' HB2' ' HB1' ' A' ' 112' ' ' ALA . 9.4 m-85 -86.42 -61.08 1.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.277 0.56 . . . . 0.0 110.56 -178.195 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.422 ' CG2' HG23 ' A' ' 109' ' ' THR . 8.0 p -65.83 143.41 15.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.679 -173.815 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -95.34 145.42 25.12 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 175.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.403 ' HD2' ' C ' ' A' ' 72' ' ' LYS . 0.5 OUTLIER -60.61 -39.28 87.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.255 0.55 . . . . 0.0 109.92 -177.629 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -62.13 -29.38 70.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.042 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.528 ' O ' HG23 ' A' ' 78' ' ' VAL . 52.1 mt-30 -68.11 -43.89 77.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.634 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 71.3 mt -58.35 -40.55 78.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.02 -37.39 84.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.071 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.21 -35.29 61.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.998 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 74' ' ' GLN . 75.5 t -58.87 -36.32 60.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -53.19 -51.6 61.54 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.98 0.419 . . . . 0.0 110.876 178.469 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -74.92 -43.88 51.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.65 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.27 -31.37 71.19 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.222 0.326 . . . . 0.0 111.668 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -66.43 -49.8 65.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.204 0.526 . . . . 0.0 110.229 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 97.0 mt -66.7 -34.81 78.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.28 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.591 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 9.9 tp10 -60.71 -45.94 92.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.028 175.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.3 tt -52.51 -45.35 66.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.916 0.388 . . . . 0.0 110.013 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 47.4 t -65.87 -44.99 92.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.806 176.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.425 ' O ' HG22 ' A' ' 91' ' ' VAL . 59.2 tp -64.28 -53.67 45.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.188 -176.162 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.591 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 1.2 pp0? -69.58 -9.48 54.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.707 0.289 . . . . 0.0 111.489 -177.488 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.9 t -72.73 -21.96 60.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.535 0.684 . . . . 0.0 109.215 175.087 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -104.52 -53.94 2.61 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.056 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 87' ' ' LEU . 27.1 m -74.28 -21.16 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -176.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.433 ' CD2' ' HE1' ' A' ' 24' ' ' TYR . 49.1 m170 60.8 32.44 20.14 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 172.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.25 58.41 4.46 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.633 0.73 . . . . 0.0 111.255 -179.323 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.821 HG22 ' HD3' ' A' ' 98' ' ' ARG . 39.0 pt -140.68 -178.67 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.048 -178.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -131.97 69.7 1.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.658 0.266 . . . . 0.0 110.88 175.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.1 tptm 61.45 -76.53 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.988 0.915 . . . . 0.0 112.815 176.491 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -61.77 -29.08 69.9 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 122.685 0.394 . . . . 0.0 111.234 -172.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.821 ' HD3' HG22 ' A' ' 94' ' ' ILE . 64.9 ttt180 -60.31 -30.89 69.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.279 -177.131 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.56 ' CZ ' ' HA ' ' A' ' 21' ' ' ALA . 77.8 t80 -64.09 -48.42 76.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.943 0.402 . . . . 0.0 110.505 -179.213 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -66.73 -34.63 78.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.513 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -59.45 -50.83 72.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.399 177.265 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 77.0 mt -61.94 -45.87 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.76 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.0 m -57.99 -50.44 73.38 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.562 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -45.51 93.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.902 -178.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.5 m -56.05 -41.62 75.33 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.781 0.324 . . . . 0.0 111.264 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.421 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 89.5 t -70.2 -51.39 39.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.986 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.512 HD23 HD12 ' A' ' 110' ' ' LEU . 52.5 mt -62.39 -37.5 86.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.775 -177.292 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -55.79 -47.49 76.99 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.199 0.524 . . . . 0.0 110.521 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.514 HG21 HG21 ' A' ' 78' ' ' VAL . 91.5 m -67.56 -42.61 82.34 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.07 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.512 HD12 HD23 ' A' ' 107' ' ' LEU . 96.0 mt -58.77 -39.94 82.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -64.97 -37.71 88.56 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.991 0.424 . . . . 0.0 110.599 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' A' ' 69' ' ' TYR . . . -68.03 -38.39 82.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.278 -177.211 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.3 t -74.92 -41.58 46.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.213 0.53 . . . . 0.0 110.335 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -56.21 -42.6 77.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.883 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.94 -41.4 87.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.85 -41.04 99.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.435 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 68.8 mt -61.23 -44.15 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.946 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.64 -30.91 68.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 25.6 ttm105 -66.81 -49.25 66.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.254 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -74.44 -22.08 59.29 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -175.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 18.5 t70 67.39 104.52 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.476 0.655 . . . . 0.0 110.754 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 35.1 m -82.77 101.59 11.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.278 -177.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.448 177.678 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 121.195 0.522 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mp -118.22 -171.27 2.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.329 173.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.577 ' HA ' ' HB2' ' A' ' 123' ' ' ARG . 3.0 p -93.87 21.47 6.57 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.13 0.49 . . . . 0.0 110.886 177.761 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -70.5 93.23 0.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.249 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.2 m 176.57 -34.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 125.127 1.371 . . . . 0.0 108.368 -173.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 26.1 tp -130.6 -20.7 2.88 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.922 -175.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.479 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 49.8 tp -77.3 -47.5 19.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.43 -173.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.539 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 1.0 OUTLIER -56.52 -42.8 79.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.979 0.419 . . . . 0.0 110.757 -176.9 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.563 ' SD ' ' HD2' ' A' ' 53' ' ' ARG . 49.5 ttp -57.99 -41.79 83.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.721 177.461 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.49 ' O ' HG13 ' A' ' 14' ' ' ILE . 24.8 m -67.1 -45.19 77.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.95 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 30.7 mm-40 -57.12 -44.13 83.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.209 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.482 ' O ' HG23 ' A' ' 16' ' ' VAL . 53.0 tt0 -61.45 -42.06 98.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.569 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.545 ' SD ' HD21 ' A' ' 110' ' ' LEU . 49.0 ttm -66.54 -38.54 87.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.55 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 10' ' ' THR . 77.8 mt -63.02 -49.8 82.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.445 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -58.75 -43.33 90.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.485 -177.22 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 12' ' ' GLN . 94.3 t -61.73 -44.64 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.036 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.88 -47.95 73.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.728 0.299 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.3 -44.3 95.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.601 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -74.77 -37.52 62.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.453 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.06 -41.41 95.15 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.382 -0.914 . . . . 0.0 112.372 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.537 ' HA ' ' CE2' ' A' ' 99' ' ' PHE . . . -64.53 -45.18 88.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.969 0.414 . . . . 0.0 110.939 178.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -69.34 -40.57 77.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.934 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -65.54 -35.96 82.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.918 0.389 . . . . 0.0 110.651 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 45.4 t80 -71.1 -34.5 71.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.172 0.511 . . . . 0.0 109.924 178.173 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -66.76 -52.51 43.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.836 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -69.63 -44.5 70.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.77 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.13 -91.4 1.29 Allowed Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.512 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 tptp 60.83 89.53 0.07 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.432 0.634 . . . . 0.0 110.064 -174.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -61.1 123.66 18.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.98 -177.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.4 m -93.63 99.44 11.88 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -49.95 -62.43 1.58 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.399 -0.818 . . . . 0.0 112.506 -170.687 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -137.84 42.28 2.29 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.303 0.573 . . . . 0.0 110.463 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 34' ' ' TYR . 11.6 m -140.33 157.37 45.66 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.711 179.453 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.441 ' HD1' ' HG1' ' A' ' 39' ' ' THR . 96.6 m-85 77.85 -12.99 1.0 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.399 0.68 . . . . 0.0 112.49 172.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -78.0 92.04 4.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.922 0.392 . . . . 0.0 110.911 -176.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.576 ' HA ' HD12 ' A' ' 40' ' ' ILE . 76.2 m-85 69.55 155.75 0.13 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.798 176.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 43.6 t80 71.08 -57.22 0.61 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.622 174.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.73 -72.14 0.16 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -173.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.441 ' HG1' ' HD1' ' A' ' 34' ' ' TYR . 4.9 m -93.99 -23.63 17.96 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.883 0.373 . . . . 0.0 111.972 -173.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 36' ' ' PHE . 10.3 mt -83.53 15.6 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-O 121.356 0.598 . . . . 0.0 111.135 -173.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.606 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 63.0 tttp -118.45 -67.23 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.515 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.414 174.522 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.506 ' HD2' ' H ' ' A' ' 41' ' ' LYS . 16.3 Cg_endo -57.19 -31.91 91.96 Favored 'Trans proline' 0 C--N 1.364 1.375 0 C-N-CA 122.282 1.988 . . . . 0.0 112.829 -175.046 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.55 -46.84 68.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.243 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.4 t -63.15 -40.27 88.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.697 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 5.3 mm-40 -56.72 -49.02 76.42 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.237 0.541 . . . . 0.0 109.968 177.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 55.1 mm-40 -60.84 -49.41 77.61 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.039 176.366 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -58.82 -44.39 90.83 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -59.66 -55.04 39.42 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.209 0.318 . . . . 0.0 110.764 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -61.93 -39.83 93.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.046 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 12.8 tp -64.39 -53.74 43.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.498 -176.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.5 86.78 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.045 -177.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.777 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . . . -64.87 -56.85 10.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.562 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.563 ' HD2' ' SD ' ' A' ' 9' ' ' MET . 1.8 tmt_? -65.87 -33.25 75.41 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.077 -177.473 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.529 ' HA ' ' CE ' ' A' ' 9' ' ' MET . 59.0 t90 -66.43 -49.24 67.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.626 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.41 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -58.75 -45.2 90.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.247 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -60.35 -41.74 94.28 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.418 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.72 -43.36 67.7 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.736 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.12 -43.06 96.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.903 0.382 . . . . 0.0 110.779 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.47 HD23 HD11 ' A' ' 62' ' ' ILE . 52.0 mt -61.61 -37.56 84.36 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.849 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 64' ' ' VAL . 17.4 tp10 -54.98 -51.9 64.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.074 177.164 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 61' ' ' LEU . 4.1 mm? -63.74 -46.49 85.13 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -176.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.47 HD11 HD23 ' A' ' 59' ' ' LEU . 35.6 pt -72.53 -17.58 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.906 0.384 . . . . 0.0 111.154 -177.677 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -78.19 -42.84 30.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.338 177.088 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 60' ' ' GLU . 93.4 t -74.0 -48.48 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.669 -177.684 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -99.6 -78.83 0.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.781 0.324 . . . . 0.0 111.04 -178.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.757 ' HG2' ' HD2' ' A' ' 67' ' ' PRO . 3.2 ttm180 -174.3 157.25 2.48 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -178.151 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.757 ' HD2' ' HG2' ' A' ' 66' ' ' ARG . 15.2 Cg_exo -70.94 106.54 1.9 Allowed 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 121.746 1.631 . . . . 0.0 112.082 172.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.39 124.27 35.45 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 176.463 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 66.32 -70.81 0.1 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.769 0.668 . . . . 0.0 111.661 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.403 HG21 HG23 ' A' ' 109' ' ' THR . 11.1 p -76.57 147.5 7.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.605 0.717 . . . . 0.0 111.661 -173.402 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -97.54 145.97 25.72 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 173.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.427 ' HB2' ' NZ ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -58.5 -34.4 70.89 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.296 0.498 . . . . 0.0 111.773 -173.334 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -66.95 -29.16 68.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.738 0.304 . . . . 0.0 110.962 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.402 ' OE1' HG23 ' A' ' 70' ' ' VAL . 29.4 tt0 -67.37 -39.04 85.64 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 65.6 mt -63.02 -43.02 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.027 176.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 72' ' ' LYS . 57.5 mm-40 -58.19 -43.06 87.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.59 177.281 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.17 -50.83 59.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.184 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.478 HG13 HG13 ' A' ' 106' ' ' VAL . 65.8 t -58.19 -38.35 67.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.339 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.777 ' HE3' ' HA ' ' A' ' 52' ' ' ALA . 87.4 tttt -57.21 -43.44 82.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.808 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.22 -45.1 27.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.615 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -56.69 -38.95 72.97 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.316 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -60.81 -45.93 92.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.864 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.29 -42.76 83.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.774 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -61.7 -43.19 99.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.526 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.9 tt -55.13 -53.35 57.05 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.461 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.1 t -61.66 -47.97 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.35 -48.17 82.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.494 -177.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.499 ' HA ' HG22 ' A' ' 91' ' ' VAL . 28.2 mm-40 -73.08 -19.5 61.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.586 -175.088 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.8 t -69.16 -50.55 46.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.342 . . . . 0.0 110.283 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -65.42 -39.02 91.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.463 -178.53 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 88' ' ' GLN . 23.5 m -83.14 -8.36 11.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.34 -178.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 62.73 33.0 15.81 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.366 175.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -90.57 -14.89 31.63 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.022 0.439 . . . . 0.0 110.645 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 9.6 tp -94.3 145.04 8.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.507 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -96.78 150.36 20.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.543 ' HA ' ' HB3' ' A' ' 99' ' ' PHE . 20.8 pttp -64.49 -22.42 66.96 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -171.2 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -59.8 -57.48 12.71 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.373 0.606 . . . . 0.0 110.44 174.1 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -79.53 -26.48 41.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.528 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.543 ' HB3' ' HA ' ' A' ' 96' ' ' LYS . 65.1 t80 -58.05 -48.59 79.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.664 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -69.1 -37.18 78.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.283 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -57.9 -50.86 71.89 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.66 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.422 ' O ' HG23 ' A' ' 106' ' ' VAL . 83.1 mt -62.02 -49.82 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.717 178.539 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.409 HG21 ' HB2' ' A' ' 21' ' ' ALA . 31.1 m -56.35 -47.41 78.88 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 -179.315 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -62.21 -46.89 86.89 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.7 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.2 m -56.33 -41.84 76.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.926 177.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.478 HG13 HG13 ' A' ' 78' ' ' VAL . 75.7 t -65.78 -50.89 67.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.637 177.492 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.465 HD23 HD12 ' A' ' 110' ' ' LEU . 97.3 mt -59.54 -40.48 87.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.237 -178.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -54.46 -51.45 64.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 110.865 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.403 HG23 HG21 ' A' ' 70' ' ' VAL . 88.9 m -62.34 -39.72 94.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.74 178.802 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.545 HD21 ' SD ' ' A' ' 13' ' ' MET . 96.0 mt -60.96 -41.38 96.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 177.397 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 58.4 m170 -69.0 -33.29 73.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.407 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.62 74.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.99 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 117' ' ' ILE . 66.8 t -70.44 -44.25 77.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.175 -179.267 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -57.27 -37.67 72.72 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.181 0.515 . . . . 0.0 110.681 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.638 ' O ' ' HB2' ' A' ' 119' ' ' ARG . 14.6 t70 -60.89 -52.27 65.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.774 -178.108 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.468 ' HA ' ' HB2' ' A' ' 119' ' ' ARG . 6.3 pt-20 -66.92 -32.46 73.73 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -178.456 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 113' ' ' VAL . 74.1 mt -57.03 -39.8 68.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.853 0.359 . . . . 0.0 110.571 177.667 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -94.06 -17.4 22.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.413 . . . . 0.0 111.148 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.638 ' HB2' ' O ' ' A' ' 115' ' ' ASP . 1.4 tpt180 -73.37 -55.13 6.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.449 -177.082 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -87.36 -41.72 13.4 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 176.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.8 t70 57.95 88.06 0.06 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.413 175.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.3 t -160.99 87.98 0.74 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.125 175.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.577 ' HB2' ' HA ' ' A' ' 3' ' ' SER . 5.1 mmp_? . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.72 177.145 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tmm? . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' LEU . . . . . 0.509 ' O ' ' HG ' ' A' ' 2' ' ' LEU . 1.6 pt? -140.12 93.54 2.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 t -176.48 -38.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.21 -174.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 69.14 -80.06 0.04 OUTLIER 'General case' 0 C--O 1.233 0.228 0 CA-C-N 114.862 -1.063 . . . . 0.0 112.432 174.218 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.6 t -175.58 36.42 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.357 0.599 . . . . 0.0 110.82 -172.289 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.5 tp -162.47 -36.24 0.04 OUTLIER 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.579 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.602 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 57.4 tp -64.36 -50.26 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.653 -177.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -61.82 -32.32 72.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.921 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.405 ' O ' ' HG3' ' A' ' 13' ' ' MET . 77.4 mtp -62.16 -45.4 93.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.825 177.384 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.435 ' O ' HG13 ' A' ' 14' ' ' ILE . 23.7 m -66.68 -43.16 85.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.226 178.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 19.8 mm-40 -56.94 -41.93 79.13 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.433 177.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.484 ' O ' HG23 ' A' ' 16' ' ' VAL . 61.1 tt0 -65.85 -42.72 90.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.957 178.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.421 ' HG2' HD21 ' A' ' 50' ' ' LEU . 80.1 mtp -62.13 -39.59 93.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.957 179.425 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 10' ' ' THR . 81.1 mt -60.2 -44.71 96.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.058 0.456 . . . . 0.0 109.797 175.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -61.79 -46.84 87.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.106 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 12' ' ' GLN . 62.0 t -62.11 -46.17 97.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.882 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.2 -46.58 89.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.759 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -60.77 -47.41 86.45 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.484 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -60.21 -49.24 78.39 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.787 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.36 -36.77 92.09 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.881 -177.121 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HA ' ' HE1' ' A' ' 99' ' ' PHE . . . -70.72 -39.24 73.52 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -178.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -77.69 -28.91 51.18 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.801 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -64.47 -36.3 83.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.467 0.651 . . . . 0.0 109.421 171.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.693 ' HD1' ' HA ' ' A' ' 89' ' ' SER . 9.4 t80 -65.8 -34.72 78.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.135 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.19 -50.45 54.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.779 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -75.58 -27.31 58.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.235 -176.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -78.88 58.26 4.27 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.473 175.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.67 -18.35 21.4 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -173.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -101.92 -47.77 4.47 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.702 -178.42 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.7 m -67.6 124.46 23.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.653 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -75.32 -84.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -179.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -163.85 70.54 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.47 0.653 . . . . 0.0 110.824 171.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.5 t -81.26 68.3 7.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.432 0.634 . . . . 0.0 110.294 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -135.11 149.79 50.09 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.823 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -75.91 -73.52 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.045 175.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.411 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 54.8 t80 -165.19 -72.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.987 0.422 . . . . 0.0 110.364 173.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -86.01 22.56 1.69 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.48 -174.311 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -60.6 -55.22 35.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.479 0.656 . . . . 0.0 109.395 172.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.433 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 5.2 t -133.52 -19.11 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.38 174.797 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.419 ' H ' HD12 ' A' ' 40' ' ' ILE . 4.3 mp -84.0 71.63 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-O 121.483 0.659 . . . . 0.0 109.273 178.485 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.593 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 43.4 tptt -169.52 -57.63 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.924 178.327 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.593 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 47.9 Cg_exo -56.96 -33.07 94.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 121.805 1.67 . . . . 0.0 112.497 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.98 -22.38 49.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.636 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 66.4 t -62.11 -50.12 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.07 -174.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -60.03 -39.47 86.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.438 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 33.1 mm-40 -64.43 -53.09 53.84 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-O 120.609 0.242 . . . . 0.0 111.134 178.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -59.92 -43.98 94.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.454 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.78 -53.42 58.36 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.169 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.18 -42.95 99.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.188 177.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 12.7 tp -58.39 -53.23 60.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.685 -177.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.765 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -60.06 -44.62 94.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.481 -177.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.57 -52.41 57.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.18 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.59 -38.01 88.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.269 -176.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.5 t90 -69.09 -43.11 75.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.598 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.34 87.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.892 0.377 . . . . 0.0 110.324 176.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -59.77 -40.8 89.42 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.831 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.91 -42.24 45.95 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.299 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.51 89.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.788 0.328 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.678 HD23 HD11 ' A' ' 62' ' ' ILE . 29.3 mt -62.97 -33.9 76.37 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.851 178.083 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.522 ' O ' HG23 ' A' ' 64' ' ' VAL . 26.1 tp10 -62.41 -49.32 75.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.457 174.585 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.6 tt -63.66 -47.41 81.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.205 -175.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.678 HD11 HD23 ' A' ' 59' ' ' LEU . 42.8 pt -73.03 -8.4 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.063 0.459 . . . . 0.0 111.014 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 60' ' ' GLU . 15.1 tttt -81.91 -45.88 14.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.777 172.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 60' ' ' GLU . 86.3 t -61.0 -48.36 89.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.782 -176.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 65' ' ' ARG . 0.3 OUTLIER -122.48 177.58 5.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 -175.696 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -92.48 108.13 28.99 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 177.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.422 ' HG3' ' HB ' ' A' ' 62' ' ' ILE . 55.9 Cg_endo -70.75 170.91 16.62 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.535 2.157 . . . . 0.0 111.518 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.595 ' HB3' ' NZ ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -157.84 -29.71 0.08 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.592 178.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -94.36 -36.03 12.12 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.015 0.436 . . . . 0.0 110.004 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.49 HG21 HG22 ' A' ' 113' ' ' VAL . 7.1 p -103.43 142.13 17.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.585 177.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -116.51 153.38 32.27 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -67.59 -27.8 67.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.288 -178.022 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -61.64 -41.13 97.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.036 0.446 . . . . 0.0 110.405 172.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.468 ' HB3' ' CG2' ' A' ' 109' ' ' THR . 54.9 mt-30 -62.13 -40.53 96.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.292 -177.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.3 mm -61.63 -43.75 97.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.029 0.443 . . . . 0.0 110.655 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -72.17 -36.42 69.28 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.35 74.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.769 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.51 HG13 HG13 ' A' ' 106' ' ' VAL . 66.8 t -63.26 -38.75 82.95 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.681 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.765 ' HG3' ' HB1' ' A' ' 51' ' ' ALA . 38.7 ttpt -55.84 -45.69 78.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.974 0.416 . . . . 0.0 111.027 179.202 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -77.09 -47.37 20.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.044 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -60.92 -38.25 85.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.715 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.4 ' O ' HG23 ' A' ' 86' ' ' VAL . 44.7 t80 -61.45 -47.38 85.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.802 0.334 . . . . 0.0 110.612 -177.375 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 53.2 mt -60.78 -42.18 97.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.966 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.637 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 45.4 tt0 -67.53 -42.93 81.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.234 178.041 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.87 -50.45 68.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.721 -178.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 82' ' ' PHE . 84.2 t -57.52 -46.1 86.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.724 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 61.7 tp -61.37 -42.67 99.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.99 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.637 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 28.6 mm-40 -65.37 -36.19 83.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 -177.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' SER . . . . . 0.693 ' HA ' ' HD1' ' A' ' 24' ' ' TYR . 26.7 t -55.93 -38.5 70.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.689 -175.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -82.31 -49.28 10.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.739 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.8 m -78.05 -21.14 13.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -173.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 36.3 m80 58.38 53.66 6.19 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.333 0.587 . . . . 0.0 110.08 -177.458 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.431 ' HB3' ' OE1' ' A' ' 88' ' ' GLN . 73.5 t60 -79.08 -44.26 22.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.049 -176.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.6 pt -97.68 -168.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.856 0.36 . . . . 0.0 110.949 -177.354 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -109.57 154.71 22.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.635 -178.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.403 ' HB2' ' HE3' ' A' ' 96' ' ' LYS . 49.1 mtmt -56.76 -43.38 80.7 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -174.052 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -55.28 -45.28 76.18 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.967 0.413 . . . . 0.0 110.851 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.435 ' O ' HG13 ' A' ' 102' ' ' ILE . 8.0 tpm_? -73.95 -39.13 63.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.093 -179.288 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.412 ' HE1' ' HA ' ' A' ' 21' ' ' ALA . 34.6 t80 -63.4 -49.15 74.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.765 -178.137 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -64.46 -31.68 72.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.996 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -68.0 -44.58 76.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.997 0.427 . . . . 0.0 110.414 175.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 98' ' ' ARG . 84.5 mt -60.14 -41.75 87.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.701 173.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.1 m -59.24 -45.91 89.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.205 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -59.56 -42.64 92.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.425 175.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.4 t -57.97 -44.67 87.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.06 0.457 . . . . 0.0 110.321 177.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.51 HG13 HG13 ' A' ' 78' ' ' VAL . 98.6 t -67.28 -53.22 34.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.006 178.016 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.539 HD23 HD12 ' A' ' 110' ' ' LEU . 82.4 mt -62.97 -38.19 90.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -175.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -63.11 -40.48 97.74 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 113' ' ' VAL . 86.4 m -64.52 -45.21 88.23 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.303 175.132 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.539 HD12 HD23 ' A' ' 107' ' ' LEU . 99.1 mt -61.62 -38.04 86.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -64.08 -37.91 89.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.593 176.348 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.19 -44.02 85.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.702 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 109' ' ' THR . 50.5 t -65.11 -50.35 74.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.867 178.403 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -54.53 -42.68 71.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.109 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.526 ' O ' ' HB2' ' A' ' 119' ' ' ARG . 19.3 t0 -60.95 -51.2 70.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.999 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.49 -32.82 73.06 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 113' ' ' VAL . 64.2 mt -63.0 -50.78 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.303 175.657 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.75 -9.79 58.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.155 0.502 . . . . 0.0 110.681 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.526 ' HB2' ' O ' ' A' ' 115' ' ' ASP . 6.0 ttt180 -99.36 -7.67 25.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.129 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' ' 117' ' ' ILE . 13.8 mm-40 -65.31 -61.85 1.88 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.744 177.435 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -125.63 158.7 34.03 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 18.3 m -128.8 161.58 29.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.764 0.316 . . . . 0.0 111.039 -175.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.658 178.948 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.968 0.413 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 36.1 tp -142.25 63.93 1.39 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.961 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.5 m 54.74 57.0 6.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.868 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -74.44 133.31 42.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.012 0.434 . . . . 0.0 110.051 177.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.434 HG22 ' HB3' ' A' ' 7' ' ' LEU . 9.6 m -73.01 109.82 6.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.808 -177.855 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.3 tp -59.62 -35.08 73.65 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.076 177.605 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.439 HD11 ' HG3' ' A' ' 114' ' ' LYS . 57.7 tp -56.48 -46.44 80.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.045 177.101 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -63.73 -37.48 87.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.605 -177.364 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 44.8 ttp -70.04 -36.68 75.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.9 0.381 . . . . 0.0 109.984 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.566 ' O ' HG13 ' A' ' 14' ' ' ILE . 27.5 m -64.07 -44.45 92.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.777 174.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -52.7 -51.19 61.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.429 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.495 ' O ' HG23 ' A' ' 16' ' ' VAL . 62.1 tt0 -59.99 -43.51 95.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.772 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.0 ttt -64.32 -38.17 90.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.571 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 10' ' ' THR . 73.3 mt -60.89 -46.59 96.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.286 176.811 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.93 -39.35 89.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.174 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 12' ' ' GLN . 62.1 t -64.64 -40.21 88.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.782 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.77 91.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.891 0.377 . . . . 0.0 110.494 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -58.49 -49.02 78.86 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.65 175.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.609 ' HA ' ' HB3' ' A' ' 22' ' ' ASP . 29.6 mmtm -70.49 -22.63 62.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.044 -178.629 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.28 -47.02 84.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.694 173.638 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.541 ' HB2' HG21 ' A' ' 103' ' ' THR . . . -68.06 -37.74 81.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.252 0.548 . . . . 0.0 109.999 175.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.609 ' HB3' ' HA ' ' A' ' 19' ' ' LYS . 9.9 t70 -58.44 -41.86 86.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.716 174.666 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -63.75 -34.75 78.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.475 -178.67 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -72.06 -36.89 69.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.425 175.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -63.73 -46.81 83.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.686 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.42 ' HB3' ' HB2' ' A' ' 29' ' ' ASN . 11.3 mm-40 -68.79 -61.2 1.91 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.886 -178.591 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.43 -61.41 4.62 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.057 -175.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -115.11 51.63 0.9 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.158 0.504 . . . . 0.0 111.236 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.42 ' HB2' ' HB3' ' A' ' 26' ' ' GLU . 28.5 t-20 -69.04 -36.98 78.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.474 177.436 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.9 p -155.82 133.72 11.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.192 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.0 p30 -92.01 -12.0 34.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.075 0.464 . . . . 0.0 110.497 178.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -95.23 162.33 13.74 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 167.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.491 ' HA ' ' CB ' ' A' ' 38' ' ' GLU . 25.3 m 73.16 -49.31 0.69 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.503 0.502 . . . . 0.0 110.548 -176.254 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -82.09 73.77 9.11 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.652 0.739 . . . . 0.0 109.523 173.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -152.33 57.56 0.83 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.793 177.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.8 t80 61.83 -83.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.635 -1.166 . . . . 0.0 111.999 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -60.27 -46.82 88.5 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -169.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.491 ' CB ' ' HA ' ' A' ' 33' ' ' SER . 36.8 mt-10 -63.21 -27.38 69.31 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -173.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.538 HG23 HG12 ' A' ' 40' ' ' ILE . 9.3 t -107.29 -39.18 5.75 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.539 -178.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.538 HG12 HG23 ' A' ' 39' ' ' THR . 39.3 mm -91.28 65.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.66 0.743 . . . . 0.0 109.494 -179.071 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.637 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 46.2 tptt -170.13 -60.8 0.0 OUTLIER Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.354 174.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.637 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 6.4 Cg_exo -73.89 -47.07 0.28 Allowed 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 121.709 1.606 . . . . 0.0 111.443 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.83 -30.43 71.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.185 -178.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.9 t -63.61 -54.98 25.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.707 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -61.96 -44.28 97.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.695 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 45.0 mm-40 -56.2 -54.31 46.73 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.452 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -68.85 -36.01 77.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.5 -178.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.546 ' HA ' HD21 ' A' ' 83' ' ' LEU . 28.0 t70 -55.49 -52.99 61.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.98 0.419 . . . . 0.0 110.565 175.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -71.33 -30.59 66.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.045 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 12.5 tp -63.38 -51.67 64.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.946 0.403 . . . . 0.0 110.264 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.63 -38.07 86.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.66 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.41 -51.35 66.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.841 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -59.6 -45.4 92.01 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.33 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -62.41 -45.82 91.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.466 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.7 89.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.418 177.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -60.46 -48.56 81.24 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.105 177.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.61 -41.58 99.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.363 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.498 ' HB1' HD13 ' A' ' 75' ' ' ILE . . . -66.11 -43.07 88.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.786 0.327 . . . . 0.0 110.864 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.6 HD23 HD11 ' A' ' 62' ' ' ILE . 51.3 mt -65.53 -36.29 83.38 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.091 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 9.2 tp10 -63.73 -42.49 97.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.271 176.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.8 tp -63.43 -47.3 82.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.067 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.6 HD11 HD23 ' A' ' 59' ' ' LEU . 34.8 pt -79.68 -2.14 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.391 0.615 . . . . 0.0 110.912 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -82.65 -36.35 26.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.233 171.3 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 68.3 t -68.08 -55.31 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.394 178.184 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.436 ' HB3' ' H ' ' A' ' 66' ' ' ARG . 64.7 mtt180 -136.45 -161.96 1.22 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.616 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.436 ' H ' ' HB3' ' A' ' 65' ' ' ARG . 8.0 mpt_? -90.58 149.06 40.05 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.787 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 8.1 Cg_exo -70.38 138.39 35.74 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.644 2.23 . . . . 0.0 110.817 173.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -86.9 -55.84 3.66 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.996 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -125.33 -43.7 1.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.857 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.78 154.12 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 172.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' HIS . . . . . 0.432 ' O ' HG13 ' A' ' 75' ' ' ILE . 27.9 m80 -129.36 149.28 51.21 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.315 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -60.61 -35.89 77.25 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -48.69 -49.99 35.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.617 172.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -71.58 -40.04 70.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.604 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.498 HD13 ' HB1' ' A' ' 58' ' ' ALA . 93.2 mt -59.62 -45.16 94.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.814 0.34 . . . . 0.0 111.231 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.56 -32.49 69.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.1 0.476 . . . . 0.0 110.533 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.3 -51.31 31.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.797 177.387 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.429 HG13 HG22 ' A' ' 106' ' ' VAL . 54.6 t -58.97 -40.84 81.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.042 -178.029 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.551 ' HD3' ' N ' ' A' ' 80' ' ' ASP . 11.7 tmtt? -51.36 -53.14 39.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.422 178.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.551 ' N ' ' HD3' ' A' ' 79' ' ' LYS . 0.7 OUTLIER -78.21 -39.34 40.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.125 -174.795 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -63.9 -34.72 78.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.189 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.491 ' HZ ' ' HB ' ' A' ' 16' ' ' VAL . 50.2 t80 -62.01 -40.91 97.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.548 -179.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.546 HD21 ' HA ' ' A' ' 48' ' ' ASP . 84.8 mt -65.05 -38.05 89.56 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.738 178.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -70.87 -38.35 73.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.628 176.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.576 HD12 HG22 ' A' ' 102' ' ' ILE . 6.2 tt -56.59 -51.98 66.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.147 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.5 t -58.42 -46.03 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.875 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.527 ' O ' HG22 ' A' ' 91' ' ' VAL . 48.6 tp -64.98 -47.73 76.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 -179.244 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.434 ' HA ' HG22 ' A' ' 91' ' ' VAL . 17.1 mm-40 -63.13 -27.58 69.48 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -176.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.7 t -67.61 -18.87 65.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.627 0.251 . . . . 0.0 110.6 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -110.48 -34.74 6.23 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 87' ' ' LEU . 28.0 m -82.84 -23.91 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.52 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 58.85 45.29 15.58 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 172.022 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -118.85 70.3 0.82 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 122.503 1.144 . . . . 0.0 110.995 173.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.517 HG13 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -129.01 164.57 31.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 114.532 -1.213 . . . . 0.0 108.744 172.784 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -89.04 -71.21 0.61 Allowed 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.465 -177.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -159.98 -71.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.799 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.452 ' NZ ' ' HB2' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -69.67 -28.86 66.22 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -170.022 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -59.69 -49.71 76.67 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -175.603 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.517 ' HB2' HG13 ' A' ' 94' ' ' ILE . 73.0 t80 -61.69 -40.89 96.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.031 0.444 . . . . 0.0 110.289 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -67.36 -48.44 67.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.141 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -61.14 -47.49 85.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.156 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.576 HG22 HD12 ' A' ' 85' ' ' LEU . 60.4 mt -58.2 -48.94 83.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.217 178.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.541 HG21 ' HB2' ' A' ' 21' ' ' ALA . 37.4 m -59.8 -46.43 89.24 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.129 0.49 . . . . 0.0 110.478 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -64.74 -46.24 83.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.155 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.4 t -57.56 -47.53 81.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.341 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.429 HG22 HG13 ' A' ' 78' ' ' VAL . 74.3 t -59.61 -49.81 82.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.645 177.624 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 103' ' ' THR . 95.4 mt -57.97 -47.77 81.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.978 178.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -55.11 -51.43 66.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.019 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 113' ' ' VAL . 75.4 m -61.09 -44.15 97.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.816 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 93.9 mt -62.04 -38.59 89.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.731 0.3 . . . . 0.0 111.255 178.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -66.11 -36.76 84.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.347 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.66 -49.13 69.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.611 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 109' ' ' THR . 62.3 t -61.81 -45.6 98.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.991 -179.17 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.439 ' HG3' HD11 ' A' ' 7' ' ' LEU . 83.3 tttt -55.81 -48.38 75.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.084 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -68.26 -43.3 78.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.987 -175.142 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -59.07 -43.09 91.74 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.975 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 113' ' ' VAL . 87.4 mt -60.49 -50.74 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-O 120.921 0.391 . . . . 0.0 110.422 176.489 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.596 ' O ' ' HB2' ' A' ' 122' ' ' SER . . . -69.3 -17.44 63.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.581 -179.18 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -84.43 -19.42 33.48 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.294 0.568 . . . . 0.0 109.836 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -87.26 -51.83 5.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.424 174.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -140.3 129.07 23.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.142 177.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.596 ' HB2' ' O ' ' A' ' 118' ' ' ALA . 17.3 t -148.55 -166.17 2.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.976 0.417 . . . . 0.0 110.636 -175.564 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.285 -179.944 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.6 mtt . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 121.014 0.435 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 55.9 mt -89.02 -47.61 8.0 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.546 -173.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 m 70.32 3.27 4.37 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.818 0.698 . . . . 0.0 110.393 -172.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.523 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 64.4 mm-40 -87.62 109.45 19.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.572 179.41 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -60.57 -43.79 96.92 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.473 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.8 tp -77.98 -20.11 53.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.415 -174.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 4' ' ' GLN . 0.3 OUTLIER -71.39 -49.08 45.57 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -176.818 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -65.32 -28.61 69.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.658 0.266 . . . . 0.0 110.956 -178.536 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 83.7 mtp -61.15 -47.16 87.48 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 173.077 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.527 ' O ' HG13 ' A' ' 14' ' ' ILE . 31.0 m -63.88 -49.74 71.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.404 177.549 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -52.58 -39.6 61.74 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.415 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.466 ' O ' HG23 ' A' ' 16' ' ' VAL . 58.3 tp60 -61.17 -45.24 95.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.812 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.453 ' SD ' HD21 ' A' ' 110' ' ' LEU . 48.2 ttm -68.93 -36.25 77.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.425 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 10' ' ' THR . 67.2 mt -63.77 -42.83 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.116 177.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 38.6 tt0 -58.34 -41.69 85.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.883 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 12' ' ' GLN . 48.0 t -65.37 -40.53 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.3 . . . . 0.0 110.704 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.65 -49.36 73.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.527 177.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -59.69 -44.54 93.6 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.197 176.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 15.2 ttmm -58.85 -44.74 91.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.436 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.39 -42.91 80.7 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.302 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.49 -43.3 99.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.718 0.295 . . . . 0.0 110.998 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.85 -40.78 97.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.983 0.421 . . . . 0.0 110.319 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 23' ' ' ARG . 3.6 tpp180 -65.02 -41.01 95.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.434 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -66.36 -41.39 89.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.412 178.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -68.36 -43.03 78.29 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.661 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.76 -50.97 71.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.579 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.97 96.97 0.62 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.899 -0.667 . . . . 0.0 113.289 174.128 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -108.53 103.28 12.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.231 0.539 . . . . 0.0 110.686 176.558 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -117.66 16.48 14.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.849 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.2 m -146.97 161.46 40.75 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.239 178.15 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.3 t30 69.17 112.96 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.895 0.747 . . . . 0.0 110.658 -177.351 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -70.63 82.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.15 -176.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.1 m -122.89 10.09 9.49 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.59 0.709 . . . . 0.0 109.923 174.732 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -135.22 142.88 46.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.464 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.54 ' HB3' ' H ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -175.68 -102.64 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.326 0.391 . . . . 0.0 110.705 179.154 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.556 ' HA ' HD12 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -167.09 167.39 14.51 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.765 -0.198 . . . . 0.0 110.662 -178.527 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 68.85 -67.6 0.21 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 172.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -57.37 -54.94 41.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.636 0.255 . . . . 0.0 111.574 -173.779 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.431 HG23 HG13 ' A' ' 40' ' ' ILE . 5.0 t -89.61 -31.23 17.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.022 0.439 . . . . 0.0 110.534 176.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.556 HD12 ' HA ' ' A' ' 36' ' ' PHE . 42.0 mt -90.76 73.4 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.267 0.556 . . . . 0.0 110.004 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.616 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 21.6 ttpp -164.49 -58.14 0.01 OUTLIER Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.222 178.355 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.616 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 13.6 Cg_exo -68.88 -43.84 3.2 Favored 'Trans proline' 0 C--N 1.357 1.022 0 C-N-CA 121.333 1.355 . . . . 0.0 111.151 178.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.08 -30.6 71.57 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.995 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.96 -50.51 74.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.405 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -56.96 -46.52 82.08 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.93 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 17.7 mm-40 -59.25 -56.25 24.57 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.446 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -67.91 -36.39 80.11 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -173.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.61 -52.91 63.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.905 0.383 . . . . 0.0 110.765 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -74.79 -27.17 60.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.878 -179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 16.2 tp -61.46 -49.49 76.59 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 174.673 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.442 ' HA ' ' HE1' ' A' ' 13' ' ' MET . . . -62.6 -40.63 97.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.703 177.63 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.7 -46.17 89.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.911 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -70.58 -37.7 73.96 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.347 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -66.56 -43.0 86.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.131 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.81 -46.66 87.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.275 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -57.97 -48.32 80.33 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.897 177.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.67 -41.73 99.78 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.165 -0.541 . . . . 0.0 112.459 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.27 -45.59 83.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.591 0.234 . . . . 0.0 110.908 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 72.3 mt -61.01 -40.46 93.64 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.991 0.424 . . . . 0.0 110.7 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -60.7 -47.62 85.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.018 176.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.4 -50.49 71.34 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.842 -177.392 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 41.9 pt -68.74 -22.1 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.713 0.292 . . . . 0.0 111.77 -176.335 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.442 ' HE2' ' HB3' ' A' ' 63' ' ' LYS . 3.9 tmmm? -79.62 -43.37 22.99 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 99.5 t -73.14 -51.92 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.484 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -91.35 -88.32 0.19 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.303 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.405 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 32.7 ptt180 175.69 155.59 0.37 Allowed Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.818 -174.257 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 4.6 Cg_exo -81.2 107.86 1.93 Allowed 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.725 2.283 . . . . 0.0 110.388 169.163 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.687 ' HB3' ' HG2' ' A' ' 116' ' ' GLU . 10.9 tmtt? -87.79 -38.19 15.95 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -175.122 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.615 ' HB2' ' HB1' ' A' ' 112' ' ' ALA . 66.9 m-85 -129.86 -54.21 1.14 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.305 0.574 . . . . 0.0 110.136 174.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.511 HG23 HG23 ' A' ' 109' ' ' THR . 9.5 p -66.78 146.87 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.945 -173.482 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -105.47 155.25 19.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.334 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.53 -38.84 88.89 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -178.258 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' ' 73' ' ' GLU . 1.7 mp0 -59.1 -42.92 91.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.4 178.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.538 ' O ' HG23 ' A' ' 78' ' ' VAL . 51.7 mt-30 -58.09 -44.73 87.77 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.132 -178.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.56 -40.37 78.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.38 -175.757 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -75.89 -37.9 58.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.16 0.505 . . . . 0.0 110.266 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.25 -36.57 81.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.468 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 74' ' ' GLN . 53.3 t -60.75 -40.77 86.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.105 -178.547 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -58.36 -49.33 77.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.036 0.446 . . . . 0.0 110.217 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -59.93 -50.71 72.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.997 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.557 ' HB3' HG23 ' A' ' 102' ' ' ILE . 29.1 m-80 -67.1 -40.11 86.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.966 -176.396 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.428 ' HZ ' ' HB ' ' A' ' 16' ' ' VAL . 55.2 t80 -66.95 -42.54 85.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.642 -177.134 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 66.4 mt -63.21 -43.13 98.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.65 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -61.8 -39.22 90.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.368 175.604 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.529 HD12 HG22 ' A' ' 102' ' ' ILE . 7.8 tt -59.94 -53.28 59.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.136 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.9 t -61.27 -45.07 99.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.993 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.88 -45.17 93.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.218 0.533 . . . . 0.0 111.22 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -92.0 6.93 44.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.396 -175.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.1 t -70.95 -38.45 72.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.045 0.45 . . . . 0.0 110.257 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -83.55 -54.85 4.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.632 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.4 m -74.01 -24.62 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -175.437 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 31.8 m170 57.3 58.65 3.76 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.203 0.525 . . . . 0.0 111.277 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 37.5 t-80 -71.72 -19.67 62.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.016 176.633 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 11.6 pt -126.98 98.11 4.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.322 175.051 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -109.14 71.3 0.77 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.666 0.746 . . . . 0.0 110.36 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.573 ' HG3' ' H ' ' A' ' 97' ' ' LYS . 13.0 tptm -166.73 -161.85 0.47 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.203 -177.572 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.573 ' H ' ' HG3' ' A' ' 96' ' ' LYS . 98.8 mttt -59.47 -29.04 67.53 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -177.584 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -53.02 -47.52 68.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.256 -177.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -66.23 -40.47 90.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.171 -179.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 50.1 mtpt -64.72 -48.93 72.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.652 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -60.62 -41.8 95.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.82 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.557 HG23 ' HB3' ' A' ' 81' ' ' ASN . 64.2 mt -58.26 -49.71 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.326 174.423 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 33.8 m -57.39 -45.23 84.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.536 177.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 100' ' ' LYS . 9.2 mm-40 -58.29 -49.22 77.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.996 178.024 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 44.1 m -60.31 -42.47 95.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.154 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 102' ' ' ILE . 91.0 t -67.17 -52.05 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.49 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.7 mt -58.73 -44.6 90.51 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.492 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -58.21 -48.65 79.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.686 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.511 HG23 HG23 ' A' ' 70' ' ' VAL . 28.0 m -64.68 -43.73 92.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.97 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.453 HD21 ' SD ' ' A' ' 13' ' ' MET . 92.3 mt -62.03 -43.95 97.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.115 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -65.33 -34.9 79.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 0.0 110.45 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.615 ' HB1' ' HB2' ' A' ' 69' ' ' TYR . . . -67.21 -50.69 59.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.154 -179.171 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 117' ' ' ILE . 64.4 t -67.35 -38.58 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.353 -177.097 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.51 ' HE3' HD11 ' A' ' 7' ' ' LEU . 87.3 tttt -56.51 -43.54 79.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.681 177.722 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -69.1 -35.08 76.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.437 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.687 ' HG2' ' HB3' ' A' ' 68' ' ' LYS . 51.2 mt-10 -66.86 -38.04 85.59 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.053 178.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 113' ' ' VAL . 78.6 mt -60.21 -50.23 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.713 178.18 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.82 -9.51 58.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.469 -178.832 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.23 -55.32 4.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.588 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -91.09 -64.36 1.14 Allowed 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.774 -170.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -98.11 72.42 2.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.221 0.534 . . . . 0.0 110.21 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.7 p -75.06 -37.31 61.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.81 -174.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 120.786 0.327 . . . . 0.0 110.66 -177.957 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.222 0 CA-C-O 120.553 0.216 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 pp -70.01 142.65 52.74 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.519 ' HB2' HD22 ' A' ' 7' ' ' LEU . 13.5 m -111.03 93.75 4.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.945 0.403 . . . . 0.0 111.423 -176.348 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 64.37 -172.26 0.18 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.016 175.559 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 m -86.56 -39.67 15.96 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.191 -174.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.1 tp -61.37 -23.31 65.68 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.538 -175.298 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.519 HD22 ' HB2' ' A' ' 3' ' ' SER . 32.9 tp -63.41 -47.57 81.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.762 -179.256 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -52.33 -42.48 63.89 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.098 0.475 . . . . 0.0 111.389 -178.078 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.8 mtp -59.64 -45.97 90.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.812 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.432 ' O ' HG13 ' A' ' 14' ' ' ILE . 24.4 m -71.25 -38.1 71.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 21.7 mm-40 -56.57 -44.03 80.58 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.718 178.247 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.514 ' O ' HG23 ' A' ' 16' ' ' VAL . 60.1 tp60 -65.21 -44.24 88.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.261 177.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 74.5 mmm -54.68 -44.17 73.12 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 10' ' ' THR . 77.6 mt -59.62 -51.94 66.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.362 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.564 ' HG2' ' HD3' ' A' ' 19' ' ' LYS . 21.9 tt0 -66.21 -34.99 79.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.29 -176.238 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 12' ' ' GLN . 76.9 t -59.3 -46.29 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.674 0.273 . . . . 0.0 110.957 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.77 76.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.63 -35.84 80.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.839 177.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.564 ' HD3' ' HG2' ' A' ' 15' ' ' GLU . 1.2 tptm -64.12 -47.55 79.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.572 177.404 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.04 -43.71 99.1 Favored Glycine 0 C--N 1.333 0.37 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.148 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 25' ' ' GLN . . . -59.48 -46.64 88.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.714 0.293 . . . . 0.0 110.575 176.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -58.75 -48.24 81.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.209 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -58.84 -43.38 90.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.877 -175.493 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -75.04 -41.42 59.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.956 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -63.38 -41.57 98.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.097 0.475 . . . . 0.0 109.771 -178.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' HG2' ' HB2' ' A' ' 28' ' ' LYS . 45.6 tt0 -65.76 -61.3 2.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.536 179.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.41 52.84 17.88 Favored Glycine 0 C--N 1.338 0.653 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.466 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HB2' ' HG2' ' A' ' 26' ' ' GLU . 19.8 tptm -107.71 18.49 21.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.151 0.501 . . . . 0.0 110.602 -174.001 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -124.82 131.56 53.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.093 0.473 . . . . 0.0 111.103 -177.468 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.1 m -146.13 6.37 1.0 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.963 175.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -122.25 58.18 1.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.277 -176.126 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -167.27 143.66 4.33 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' A' ' 34' ' ' TYR . 2.7 m -66.43 -26.26 67.14 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -173.097 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.43 ' HB2' ' O ' ' A' ' 33' ' ' SER . 82.0 m-85 67.81 -76.07 0.06 Allowed 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.356 0.41 . . . . 0.0 110.283 -174.224 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.64 ' HB3' ' HB2' ' A' ' 38' ' ' GLU . 25.8 t70 69.75 143.93 0.05 Allowed 'General case' 0 C--O 1.234 0.265 0 C-N-CA 124.139 0.976 . . . . 0.0 112.136 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.514 ' HA ' HD12 ' A' ' 40' ' ' ILE . 92.2 t80 -69.03 -43.19 75.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.417 -177.083 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -81.54 -24.72 36.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.717 0.294 . . . . 0.0 110.702 -173.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . 0.64 ' HB2' ' HB3' ' A' ' 35' ' ' ASP . 0.5 OUTLIER -79.68 -57.68 3.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.381 -175.841 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.8 t -111.19 -10.51 14.29 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -171.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 36' ' ' PHE . 59.6 mt -102.61 -61.11 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.13 -177.126 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.541 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 42.6 tttm -47.36 -54.69 20.01 Favored Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -176.042 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.541 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 52.7 Cg_exo -56.12 -40.03 87.48 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.096 1.864 . . . . 0.0 113.205 -175.687 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.31 -41.0 70.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.747 0.308 . . . . 0.0 110.638 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 40' ' ' ILE . 98.5 t -60.09 -43.26 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.455 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 47.5 mt-10 -54.99 -50.93 67.78 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.964 0.412 . . . . 0.0 111.051 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -61.89 -51.31 68.67 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.264 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 94.2 m-20 -61.53 -39.01 89.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.17 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.527 ' HA ' HD21 ' A' ' 83' ' ' LEU . 25.9 t70 -59.62 -44.4 93.45 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.961 0.41 . . . . 0.0 110.816 178.51 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -63.46 -49.42 73.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.056 175.854 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.2 mp -57.64 -52.97 63.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.525 -178.187 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.71 -35.07 72.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.382 -177.685 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.432 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . . . -68.25 -57.38 6.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.142 -179.097 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -31.35 67.59 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.58 -175.713 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -64.14 -42.85 96.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 110.26 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.68 -43.88 97.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.447 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.69 -34.06 77.02 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.976 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.8 -43.7 65.62 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.1 -0.572 . . . . 0.0 111.779 175.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.19 98.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.973 0.416 . . . . 0.0 110.459 177.135 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.66 HD23 HD11 ' A' ' 62' ' ' ILE . 48.9 mt -60.05 -35.71 75.72 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.004 176.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -61.94 -45.38 93.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.819 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.86 -44.66 76.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.56 -178.617 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.66 HD11 HD23 ' A' ' 59' ' ' LEU . 40.6 pt -76.13 -6.69 9.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.097 0.475 . . . . 0.0 110.891 -179.38 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -81.77 -40.69 22.27 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 172.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.4 t -73.96 -50.54 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.09 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.451 ' HB3' ' H ' ' A' ' 66' ' ' ARG . 85.2 mtt180 -114.45 -161.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.175 0.512 . . . . 0.0 111.375 -177.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.451 ' H ' ' HB3' ' A' ' 65' ' ' ARG . 10.1 mpt_? -80.96 160.27 66.55 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.153 174.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.16 -52.78 8.1 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.724 2.283 . . . . 0.0 112.584 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.482 ' HG2' ' CD ' ' A' ' 116' ' ' GLU . 23.4 tptm 64.55 107.03 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.762 0.664 . . . . 0.0 111.58 177.215 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.53 ' HB2' ' HB1' ' A' ' 112' ' ' ALA . 34.6 m-85 68.89 -68.42 0.18 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.627 -177.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.637 HG21 HG23 ' A' ' 109' ' ' THR . 13.5 p -92.36 158.87 2.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.367 -174.131 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -122.25 163.78 19.03 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 176.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -62.74 -34.65 77.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.322 . . . . 0.0 110.946 -176.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -59.23 -38.38 79.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.259 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 78' ' ' VAL . 15.2 mm100 -71.6 -45.52 61.9 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.805 178.391 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.8 mt -59.13 -42.73 87.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -178.566 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -68.72 -32.95 73.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.935 0.398 . . . . 0.0 110.875 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.15 -46.51 67.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.18 176.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.438 HG13 HG22 ' A' ' 106' ' ' VAL . 70.4 t -60.98 -35.39 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.066 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 52' ' ' ALA . 81.8 tttt -55.47 -46.01 76.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.015 0.436 . . . . 0.0 110.813 178.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -77.47 -42.89 34.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.596 178.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.523 ' HB3' HG23 ' A' ' 102' ' ' ILE . 94.6 m-20 -65.88 -26.95 67.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.0 -175.48 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -65.49 -47.81 74.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.177 0.513 . . . . 0.0 109.723 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.527 HD21 ' HA ' ' A' ' 48' ' ' ASP . 98.3 mt -69.08 -37.12 78.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.104 178.246 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.551 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 15.7 tp10 -57.86 -47.92 81.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.344 174.84 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.1 tt -55.44 -50.46 69.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 61.8 t -62.53 -46.07 97.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.945 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 42.5 tp -69.0 -44.47 72.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.507 -177.163 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.57 ' HG3' HD13 ' A' ' 94' ' ' ILE . 3.1 pt20 -64.7 -26.76 68.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.0 -175.466 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.0 t -65.54 -34.16 77.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.329 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -92.77 -37.42 12.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.994 -178.01 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.547 HG22 ' HA ' ' A' ' 88' ' ' GLN . 34.4 m -79.02 -19.3 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.069 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 39.6 m80 68.33 27.81 6.42 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.016 0.746 . . . . 0.0 113.016 171.145 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -89.44 39.87 0.96 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.984 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.57 HD13 ' HG3' ' A' ' 88' ' ' GLN . 24.4 pt -142.97 177.03 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.988 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -134.91 -72.99 0.47 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.949 174.171 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -149.55 -57.33 0.19 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.279 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.587 ' H ' ' HD2' ' A' ' 97' ' ' LYS . 8.5 mptt -51.83 -54.1 32.82 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.896 -173.501 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -63.01 -49.83 73.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 -177.211 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.48 -43.73 89.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.028 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -44.76 83.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.269 -178.445 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -65.31 -45.02 86.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.823 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.523 HG23 ' HB3' ' A' ' 81' ' ' ASN . 74.4 mt -60.43 -50.95 78.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.715 178.536 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 54.0 m -58.02 -44.06 87.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.111 0.481 . . . . 0.0 110.501 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.94 -51.71 67.0 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.187 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.0 m -60.0 -39.43 85.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.056 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.494 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 74.9 t -66.99 -52.02 48.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.637 0.256 . . . . 0.0 110.71 178.435 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.462 HD13 HD12 ' A' ' 110' ' ' LEU . 4.2 mm? -63.18 -38.67 92.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.292 -178.594 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -62.38 -40.63 97.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 110.201 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.637 HG23 HG21 ' A' ' 70' ' ' VAL . 93.9 m -65.68 -42.48 91.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.526 176.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 97.2 mt -59.63 -44.47 93.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.42 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -58.63 -40.28 82.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 178.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.53 ' HB1' ' HB2' ' A' ' 69' ' ' TYR . . . -64.77 -46.35 82.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.234 -177.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.502 ' O ' HG13 ' A' ' 117' ' ' ILE . 58.4 t -72.92 -39.94 59.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.188 0.518 . . . . 0.0 110.206 -178.129 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.504 ' HE3' HD11 ' A' ' 7' ' ' LEU . 1.3 tmtp? -60.9 -37.99 84.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.773 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -60.84 -47.95 84.02 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.785 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.482 ' CD ' ' HG2' ' A' ' 68' ' ' LYS . 26.6 mm-40 -64.33 -38.19 90.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.529 -179.247 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 113' ' ' VAL . 70.9 mt -59.55 -45.52 93.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.279 0.562 . . . . 0.0 110.236 178.367 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -82.18 -6.64 59.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.107 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 32.5 ttm-85 -93.28 -20.95 19.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.663 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.25 -44.13 69.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.864 176.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -96.72 176.22 6.08 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 175.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.4 m -107.5 -28.05 10.03 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 120.728 0.299 . . . . 0.0 110.596 -178.318 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 38.5 ttt180 . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.817 -174.578 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 ptt? . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 121.246 0.546 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -102.41 132.73 48.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.751 174.153 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 m -77.38 83.04 3.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.399 0.618 . . . . 0.0 110.392 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -92.81 89.1 6.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.699 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.0 p -94.15 -78.42 0.44 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.606 176.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.7 tp -66.73 -23.49 66.11 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.509 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.9 tp -65.33 -51.23 62.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.141 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -57.82 -42.53 84.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.995 0.426 . . . . 0.0 110.48 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 82.5 mtp -58.15 -51.22 70.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.774 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.543 ' O ' HG13 ' A' ' 14' ' ' ILE . 19.5 m -63.49 -49.59 73.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.584 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -55.15 -43.42 74.19 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.3 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.508 ' O ' HG23 ' A' ' 16' ' ' VAL . 57.7 tp60 -62.26 -46.8 87.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.497 177.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 92.6 mtp -64.85 -34.82 79.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.346 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.625 HG12 ' HB3' ' A' ' 110' ' ' LEU . 67.2 mt -63.15 -43.65 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.199 176.465 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -64.4 -39.22 93.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.601 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 12' ' ' GLN . 95.9 t -61.69 -40.79 88.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.593 176.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.7 -45.23 87.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.99 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -56.16 -48.99 75.25 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.66 175.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -66.86 -35.28 79.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.296 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.21 -48.91 83.15 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.103 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.598 ' HB2' HG21 ' A' ' 103' ' ' THR . . . -64.25 -42.4 96.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.965 0.412 . . . . 0.0 110.406 177.09 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -56.78 -43.82 81.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.875 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.439 ' HD2' ' HB3' ' A' ' 29' ' ' ASN . 0.3 OUTLIER -68.48 -40.5 80.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.374 -176.354 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.438 ' CE2' ' HA ' ' A' ' 96' ' ' LYS . 55.2 t80 -75.36 -37.96 60.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.626 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -66.41 -36.19 82.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.204 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -66.15 -43.69 86.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.357 0.598 . . . . 0.0 109.61 172.5 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.82 -66.69 0.53 Allowed Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.192 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -159.31 139.49 12.02 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.439 ' HB3' ' HD2' ' A' ' 23' ' ' ARG . 23.8 t-20 -128.98 67.76 1.41 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.72 0.771 . . . . 0.0 109.419 176.303 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.2 m -159.37 98.15 1.39 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.849 -1.069 . . . . 0.0 108.681 177.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 63.3 t30 -87.75 70.57 9.63 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.225 0.536 . . . . 0.0 110.685 -175.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 31' ' ' ASN . 43.3 t-80 177.45 136.61 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.077 177.433 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.0 m -58.93 137.77 57.71 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.819 0.342 . . . . 0.0 110.314 175.414 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -130.72 148.2 52.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.559 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -109.13 -68.08 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.981 178.417 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -168.37 174.57 6.89 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.8 t80 70.36 -163.52 0.16 Allowed 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 123.54 0.525 . . . . 0.0 109.952 177.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 64.94 -78.86 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 123.912 0.885 . . . . 0.0 110.683 -174.722 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.1 t -115.24 -23.69 8.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.826 0.346 . . . . 0.0 110.156 177.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.512 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 4.5 mp -83.42 71.86 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-O 121.041 0.448 . . . . 0.0 110.159 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 40' ' ' ILE . 25.1 ttpp 170.59 -60.79 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 114.625 -1.17 . . . . 0.0 109.282 172.523 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.471 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 21.5 Cg_endo -59.93 -46.09 21.17 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 122.015 1.81 . . . . 0.0 112.117 -178.259 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.38 -35.46 79.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.405 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.8 t -66.96 -45.93 86.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.792 177.236 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -62.59 -42.85 99.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.323 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -56.92 -55.83 29.5 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.092 0.473 . . . . 0.0 110.916 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.446 ' HB3' ' HE2' ' A' ' 82' ' ' PHE . 92.3 m-20 -67.36 -24.83 65.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.072 -177.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.555 ' HA ' HD11 ' A' ' 83' ' ' LEU . 19.3 t70 -64.67 -49.68 70.02 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 174.156 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.79 -41.33 97.95 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.042 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.13 -53.2 61.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.491 -179.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.13 -38.75 82.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.352 -177.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.24 99.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.897 0.38 . . . . 0.0 110.932 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -34.33 62.7 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.861 178.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -65.28 -44.34 88.32 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 176.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.94 -44.92 87.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.457 177.24 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -60.93 -39.56 89.91 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.767 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.427 ' O ' ' HB3' ' A' ' 60' ' ' GLU . . . -67.84 -43.23 84.25 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.105 177.507 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.476 ' HB1' HD13 ' A' ' 75' ' ' ILE . . . -65.0 -45.54 85.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.818 0.342 . . . . 0.0 110.657 177.875 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.558 HD23 HD11 ' A' ' 62' ' ' ILE . 53.5 mt -59.32 -33.61 71.33 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.178 0.513 . . . . 0.0 110.756 177.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' O ' HG23 ' A' ' 64' ' ' VAL . 31.7 tp10 -63.19 -53.96 45.07 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.252 175.106 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.68 -41.13 98.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.045 -176.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.614 HG22 ' HG2' ' A' ' 67' ' ' PRO . 42.4 pt -68.11 -29.16 43.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -174.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.479 ' HE3' ' HA ' ' A' ' 60' ' ' GLU . 21.7 pttp -82.13 -26.28 33.65 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 119.651 -0.819 . . . . 0.0 110.573 178.708 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 60' ' ' GLU . 61.8 t -80.69 -47.4 20.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.019 178.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -137.56 167.0 22.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.506 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.508 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 98.4 mtt180 -92.14 115.48 64.76 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.09 176.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.614 ' HG2' HG22 ' A' ' 62' ' ' ILE . 3.4 Cg_exo -75.02 7.63 2.79 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.407 2.738 . . . . 0.0 112.71 -176.421 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.6 mttp 69.87 -70.46 0.14 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.448 172.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' TYR . . . . . 0.512 ' HB2' ' HB1' ' A' ' 112' ' ' ALA . 2.8 m-85 -77.83 -56.68 4.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.067 0.46 . . . . 0.0 111.653 -171.451 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.449 HG21 HG23 ' A' ' 109' ' ' THR . 12.7 p -81.27 147.46 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.704 -171.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -112.05 159.57 18.35 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -67.44 -29.04 68.41 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.566 -173.046 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -64.4 -38.6 91.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.11 0.481 . . . . 0.0 110.359 176.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 78' ' ' VAL . 15.5 mm-40 -62.36 -43.58 98.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.575 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.476 HD13 ' HB1' ' A' ' 58' ' ' ALA . 63.0 mt -61.86 -41.35 90.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.801 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.411 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . 5.9 mm-40 -68.54 -37.01 79.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.14 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.81 -45.87 73.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.592 177.558 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.422 HG13 HG13 ' A' ' 106' ' ' VAL . 73.7 t -61.6 -35.58 68.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.209 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -52.64 -53.43 47.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.013 0.435 . . . . 0.0 111.34 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -75.13 -37.77 61.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -64.24 -31.71 73.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.14 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.446 ' HE2' ' HB3' ' A' ' 47' ' ' ASN . 79.8 t80 -64.85 -54.35 32.4 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.555 HD11 ' HA ' ' A' ' 48' ' ' ASP . 4.5 mm? -58.34 -42.5 86.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.594 177.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -56.9 -51.44 69.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.12 177.225 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.506 ' HA ' HE21 ' A' ' 88' ' ' GLN . 7.0 tt -57.06 -48.73 77.83 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.585 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 82' ' ' PHE . 76.3 t -57.97 -45.65 87.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.264 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.1 tp -69.09 -44.98 71.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.002 0.43 . . . . 0.0 111.415 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.506 HE21 ' HA ' ' A' ' 85' ' ' LEU . 24.9 pt20 -83.08 2.59 34.45 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -173.276 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.6 p -67.81 -27.99 67.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -90.4 -46.42 8.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.392 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.473 HG22 ' HA ' ' A' ' 88' ' ' GLN . 30.4 m -91.06 -33.22 5.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -171.238 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.8 m170 59.05 88.4 0.07 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 122.793 0.437 . . . . 0.0 111.012 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -112.8 8.05 18.67 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.284 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.54 HD13 ' HB2' ' A' ' 99' ' ' PHE . 2.0 pp -115.69 -177.53 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.796 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -99.43 145.53 27.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.892 175.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . 0.438 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 22.2 ptmt -54.99 -33.13 62.3 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -173.262 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 97' ' ' LYS . 69.1 mmtt -67.96 -37.26 81.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.665 0.269 . . . . 0.0 111.453 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.561 ' NE ' ' HA ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -78.91 -31.76 45.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.525 -175.876 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.54 ' HB2' HD13 ' A' ' 94' ' ' ILE . 37.8 t80 -62.43 -34.04 75.98 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.096 0.474 . . . . 0.0 110.117 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -51.05 71.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.246 176.799 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -59.76 -42.32 92.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.164 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 98' ' ' ARG . 79.4 mt -57.82 -51.76 66.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.16 177.423 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.598 HG21 ' HB2' ' A' ' 21' ' ' ALA . 29.3 m -58.28 -47.57 83.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.687 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 108' ' ' TYR . 8.3 mm-40 -60.03 -41.54 92.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.881 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.3 m -68.13 -40.54 82.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.813 0.339 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 102' ' ' ILE . 95.9 t -66.69 -50.33 66.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.291 177.617 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 55.8 mt -59.17 -45.24 91.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.465 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' A' ' 104' ' ' GLU . 8.4 t80 -56.15 -42.18 76.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.15 0.5 . . . . 0.0 110.295 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.449 HG23 HG21 ' A' ' 70' ' ' VAL . 86.6 m -70.07 -46.08 65.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.969 178.737 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.625 ' HB3' HG12 ' A' ' 14' ' ' ILE . 95.4 mt -60.55 -41.95 95.56 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.196 -179.302 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -63.65 -36.67 84.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.101 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' ' 69' ' ' TYR . . . -67.09 -47.68 70.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.398 -178.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 81.9 t -62.9 -43.96 99.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.022 0.439 . . . . 0.0 110.099 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.432 ' HD2' ' C ' ' A' ' 114' ' ' LYS . 0.6 OUTLIER -54.31 -45.11 72.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.189 176.197 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -69.0 -42.05 76.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.554 -172.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -61.91 -41.21 97.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.867 0.365 . . . . 0.0 110.742 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 75.1 mt -62.3 -45.14 99.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 120.988 0.423 . . . . 0.0 110.65 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.42 -20.43 61.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.684 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -78.08 -26.95 48.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.905 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -82.92 -47.51 11.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.843 174.349 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 35.4 t70 63.07 28.64 16.19 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.627 0.727 . . . . 0.0 110.771 177.358 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.5 m -125.63 -81.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.886 -0.509 . . . . 0.0 111.429 -177.446 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.464 ' HA ' ' NE ' ' A' ' 123' ' ' ARG . 5.7 mmp_? . . . . . 0 N--CA 1.465 0.298 0 CA-C-O 121.262 0.553 . . . . 0.0 110.978 -173.454 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptp . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.584 0.231 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.9 mt -101.63 -45.23 5.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.751 0.31 . . . . 0.0 110.655 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 p 50.21 74.61 0.21 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.585 0.754 . . . . 0.0 111.896 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -71.33 -60.74 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.478 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.4 m -157.2 -71.19 0.1 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.868 0.366 . . . . 0.0 111.21 177.572 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.3 tp -64.54 -21.36 66.67 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.529 -174.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.423 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -67.74 -42.82 81.25 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -179.285 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.74 -43.16 98.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.424 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 68.0 mtp -56.53 -43.57 79.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.883 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.474 ' O ' HG13 ' A' ' 14' ' ' ILE . 22.8 m -71.01 -50.86 29.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.804 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -55.52 -36.4 66.69 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.477 ' O ' HG23 ' A' ' 16' ' ' VAL . 49.9 tt0 -61.31 -51.34 69.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 110.173 175.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 48.8 ttm -60.7 -38.99 86.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.825 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.58 HG12 ' HB3' ' A' ' 110' ' ' LEU . 67.1 mt -62.91 -49.32 84.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.684 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLU . . . . . 0.443 ' HG2' ' HE2' ' A' ' 19' ' ' LYS . 33.8 tt0 -65.52 -39.42 91.8 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.811 -177.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 12' ' ' GLN . 81.2 t -62.22 -42.45 95.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.446 0.165 . . . . 0.0 110.802 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.07 89.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.905 0.383 . . . . 0.0 110.627 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.65 -46.39 90.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.243 177.675 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HE2' ' HG2' ' A' ' 15' ' ' GLU . 51.7 mtmt -68.64 -30.63 69.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.196 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.05 -45.04 63.99 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.087 -0.577 . . . . 0.0 111.786 177.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.578 ' HB2' HG21 ' A' ' 103' ' ' THR . . . -68.22 -38.44 81.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.87 0.367 . . . . 0.0 110.326 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.16 -41.14 87.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.367 175.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -59.47 -46.89 87.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.615 176.544 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -64.71 -36.74 85.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.471 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.36 -53.33 50.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.397 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.53 -47.14 86.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.097 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.5 -57.22 0.76 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.766 175.016 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 58.38 82.34 0.14 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.693 0.758 . . . . 0.0 110.766 -176.105 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -81.04 125.22 29.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.037 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.9 t -171.23 -146.12 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 -173.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -57.05 -31.85 65.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.37 176.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 66.14 18.28 10.94 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.119 173.212 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 p -108.09 154.38 21.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.614 -176.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -144.1 -48.05 0.27 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 58.33 31.34 20.76 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 114.673 -1.149 . . . . 0.0 113.729 166.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.486 ' HA ' HD12 ' A' ' 40' ' ' ILE . 98.1 m-85 69.18 11.05 8.12 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 164.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -152.91 87.01 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 119.403 -0.919 . . . . 0.0 112.443 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -177.94 -76.08 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.8 -1.091 . . . . 0.0 108.794 172.438 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.6 p -92.81 -19.76 21.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.16 173.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 36' ' ' PHE . 16.4 mt -84.96 50.64 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 CA-C-O 121.583 0.706 . . . . 0.0 110.694 -178.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.615 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 29.3 tptp -144.92 -56.28 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.767 173.589 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.615 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 7.9 Cg_exo -72.24 -37.87 4.18 Favored 'Trans proline' 0 C--N 1.359 1.125 0 C-N-CA 121.553 1.502 . . . . 0.0 111.948 -178.573 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.66 -43.14 66.59 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.394 -176.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.1 t -57.84 -50.67 76.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.036 -176.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -64.42 -45.53 87.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 6.1 tm-20 -54.46 -59.03 5.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.364 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 71.0 m-20 -63.64 -36.42 83.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.724 -175.606 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.61 -49.88 67.11 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.785 0.326 . . . . 0.0 110.647 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -62.15 -41.64 98.47 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.296 0.569 . . . . 0.0 110.321 176.411 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 6.0 tp -59.62 -53.59 56.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.854 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.498 ' HB1' ' HG2' ' A' ' 79' ' ' LYS . . . -60.62 -38.31 84.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.465 -177.039 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.76 -53.73 53.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.851 0.358 . . . . 0.0 110.643 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.65 -33.52 75.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.117 -178.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -66.86 -45.78 77.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.221 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.61 -46.99 88.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.439 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -60.4 -36.1 77.31 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.269 178.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.72 -47.74 31.9 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.33 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.55 -47.17 85.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.813 0.34 . . . . 0.0 111.043 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.515 HD23 HD11 ' A' ' 62' ' ' ILE . 51.6 mt -61.37 -36.23 79.65 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.202 179.299 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.597 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 32.4 tp10 -56.93 -51.57 68.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.874 176.764 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.418 HD11 ' HA ' ' A' ' 123' ' ' ARG . 4.4 mm? -66.94 -39.93 87.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -175.676 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.628 HG22 ' HB3' ' A' ' 67' ' ' PRO . 40.3 pt -73.16 -22.92 19.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.343 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.597 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -83.16 -23.31 32.98 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.17 174.847 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 60' ' ' GLU . 88.1 t -78.81 -60.39 2.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.707 175.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -109.71 168.82 9.13 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -78.54 118.12 70.46 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.628 ' HB3' HG22 ' A' ' 62' ' ' ILE . 60.6 Cg_endo -72.97 158.22 50.07 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.875 2.383 . . . . 0.0 112.577 -177.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LYS . . . . . 0.497 ' HD2' ' N ' ' A' ' 68' ' ' LYS . 5.5 mptt -111.34 119.82 40.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.324 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 72.39 -49.05 0.69 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.637 0.775 . . . . 0.0 111.977 177.538 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.521 HG21 HG22 ' A' ' 113' ' ' VAL . 7.6 p -69.92 141.94 16.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.21 0.528 . . . . 0.0 111.089 -178.476 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -127.19 162.43 26.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.101 -0.704 . . . . 0.0 109.101 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.728 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -64.48 -39.07 93.11 Favored 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.099 -176.57 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -56.26 -34.38 66.34 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.28 0.562 . . . . 0.0 110.329 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLN . . . . . 0.442 ' O ' HG23 ' A' ' 78' ' ' VAL . 73.8 mm-40 -68.43 -47.86 66.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.397 -179.082 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.33 -39.46 85.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.265 -177.668 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLU . . . . . 0.728 ' HG2' ' O ' ' A' ' 72' ' ' LYS . 61.5 mm-40 -60.87 -42.48 97.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.455 -177.571 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.18 -46.96 38.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.398 -177.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.533 HG13 HG13 ' A' ' 106' ' ' VAL . 55.2 t -54.46 -37.87 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.769 -176.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.498 ' HG2' ' HB1' ' A' ' 51' ' ' ALA . 13.7 tmtt? -56.33 -54.15 48.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.426 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ASP . . . . . 0.424 ' N ' ' HD3' ' A' ' 79' ' ' LYS . 4.3 m-20 -78.02 -35.3 50.01 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.303 -176.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASN . . . . . 0.449 ' HB3' HG23 ' A' ' 102' ' ' ILE . 6.4 m-20 -56.05 -43.09 77.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.475 175.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -59.54 -46.3 89.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.87 -48.14 72.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.221 -177.03 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.51 -32.53 73.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.756 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.589 HD12 HG22 ' A' ' 102' ' ' ILE . 5.7 tt -58.49 -51.47 69.75 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.021 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 65.6 t -59.31 -45.23 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.405 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.3 tp -59.94 -53.9 52.46 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.441 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLN . . . . . 0.455 HE21 ' HB3' ' A' ' 88' ' ' GLN . 2.7 pt20 -67.25 -19.44 65.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.523 -175.351 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.4 m -64.66 -40.59 95.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 110.713 176.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -84.41 -48.32 9.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.314 -176.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' VAL . . . . . 0.43 HG23 ' H ' ' A' ' 93' ' ' HIS . 33.9 m -75.46 -17.53 15.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.534 -176.623 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 36.3 m80 62.72 33.51 15.43 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.259 0.552 . . . . 0.0 110.849 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' HIS . . . . . 0.43 ' H ' HG23 ' A' ' 91' ' ' VAL . 79.0 t60 -92.81 46.43 1.23 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.806 0.813 . . . . 0.0 109.695 -178.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.755 HG12 ' HB2' ' A' ' 99' ' ' PHE . 10.1 tp -143.5 152.24 16.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.263 -177.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -84.92 -93.4 0.08 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.908 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -143.99 -80.64 0.19 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.828 0.347 . . . . 0.0 111.702 -177.597 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 97' ' ' LYS . 37.9 ttmt -61.65 -39.13 90.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.28 -171.275 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.488 ' O ' HG13 ' A' ' 102' ' ' ILE . 50.8 mtm180 -65.1 -26.86 68.4 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.022 -177.518 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' PHE . . . . . 0.755 ' HB2' HG12 ' A' ' 94' ' ' ILE . 76.2 t80 -68.9 -49.7 55.9 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.295 0.569 . . . . 0.0 109.609 176.402 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 63.5 tttp -62.28 -44.74 95.84 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.219 179.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -56.82 -43.5 81.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.486 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.589 HG22 HD12 ' A' ' 85' ' ' LEU . 71.3 mt -60.43 -42.77 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.199 175.272 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' THR . . . . . 0.578 HG21 ' HB2' ' A' ' 21' ' ' ALA . 23.1 m -62.04 -47.42 84.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.232 0.539 . . . . 0.0 110.469 177.077 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 100' ' ' LYS . 33.3 mm-40 -60.75 -49.49 77.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.491 -177.515 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.8 p -61.1 -39.53 90.33 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.765 0.317 . . . . 0.0 111.34 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.533 HG13 HG13 ' A' ' 78' ' ' VAL . 77.4 t -65.13 -56.57 14.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.439 176.584 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 48.1 mt -56.83 -42.2 79.2 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.917 -178.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -57.45 -50.66 72.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.519 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.482 ' HB ' HG21 ' A' ' 78' ' ' VAL . 25.2 m -70.54 -38.98 74.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.216 -178.219 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.58 ' HB3' HG12 ' A' ' 14' ' ' ILE . 71.1 mt -56.38 -43.16 78.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.724 0.297 . . . . 0.0 111.137 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -65.0 -35.73 82.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.153 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.2 -37.02 75.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.997 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.521 HG22 HG21 ' A' ' 70' ' ' VAL . 48.3 t -77.48 -46.63 27.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.229 -178.618 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -56.75 -38.34 72.3 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.583 -178.063 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.02 -46.97 82.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.837 -178.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -67.15 -40.01 86.63 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.491 0.186 . . . . 0.0 111.411 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 113' ' ' VAL . 80.6 mt -57.34 -46.55 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.037 0.446 . . . . 0.0 110.474 178.034 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.18 -27.74 61.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.785 178.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -66.11 -53.58 36.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.205 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -71.04 -64.47 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.461 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -178.89 -55.14 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.046 176.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 25.8 p -174.72 -69.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.397 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.418 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.928 -179.211 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.801 0.334 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 80.2 mt -144.53 84.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.646 176.056 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.484 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 37.2 t -125.36 144.18 50.62 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.605 -176.349 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.594 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 67.6 mt-30 -90.06 24.41 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.425 -178.74 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.7 p -66.05 -58.79 4.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.124 0.488 . . . . 0.0 109.814 173.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.502 HD13 ' HA3' ' A' ' 57' ' ' GLY . 43.5 tp -163.95 4.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.356 174.364 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.1 tp -77.63 -53.02 8.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.62 -171.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLU . . . . . 0.594 ' HG2' ' HG2' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -64.58 -39.22 93.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 111.805 -175.931 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' MET . . . . . 0.411 ' HE3' ' HA ' ' A' ' 6' ' ' LEU . 62.7 mtm -59.62 -39.55 84.63 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.634 176.055 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.521 ' O ' HG13 ' A' ' 14' ' ' ILE . 58.4 m -68.22 -45.53 73.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.286 175.586 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -55.0 -47.4 74.69 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.448 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLN . . . . . 0.453 ' O ' HG23 ' A' ' 16' ' ' VAL . 53.0 tt0 -64.55 -41.61 96.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.377 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' MET . . . . . 0.429 ' HE1' ' HA ' ' A' ' 51' ' ' ALA . 48.3 ttm -63.11 -40.84 98.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.806 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 10' ' ' THR . 74.9 mt -60.97 -46.38 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.078 0.466 . . . . 0.0 110.425 177.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.3 -46.15 88.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.774 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 12' ' ' GLN . 92.6 t -61.66 -42.62 94.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.172 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.48 -48.87 73.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.835 0.35 . . . . 0.0 110.709 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.51 -47.62 83.53 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.47 178.573 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -75.76 -24.68 56.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.5 -177.699 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.54 -44.96 95.81 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 172.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -63.89 -43.76 95.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.975 0.417 . . . . 0.0 110.28 175.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -61.5 -37.44 83.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.177 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -68.73 -39.37 80.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.971 0.415 . . . . 0.0 110.18 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.513 ' HE1' ' HB3' ' A' ' 92' ' ' HIS . 45.5 t80 -64.39 -37.32 87.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.671 175.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 93.5 mt-30 -65.47 -33.82 76.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.248 176.709 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -65.82 -39.52 90.94 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.056 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.69 70.54 1.19 Allowed Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 -178.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -82.2 74.7 9.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.726 0.298 . . . . 0.0 111.257 -173.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 71.59 147.16 0.08 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.636 174.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.9 t -109.17 -3.86 16.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.479 0.657 . . . . 0.0 109.745 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -76.34 111.18 11.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.046 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -82.44 76.38 9.31 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 p -103.23 3.69 35.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.324 0.583 . . . . 0.0 110.248 175.087 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -106.09 84.2 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -86.1 80.98 8.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -169.283 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . 0.586 ' HA ' HD12 ' A' ' 40' ' ' ILE . 1.1 t80 57.31 24.28 9.81 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 162.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -150.79 -39.3 0.13 Allowed 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.723 -0.61 . . . . 0.0 111.736 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.75 -60.34 3.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.942 0.401 . . . . 0.0 111.664 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.9 t -102.24 -22.73 14.11 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.107 0.48 . . . . 0.0 110.51 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' A' ' 36' ' ' PHE . 37.1 mt -93.28 80.42 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.357 -177.278 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.556 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 28.2 ttpp -168.27 -64.94 0.01 OUTLIER Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.41 177.719 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.556 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 44.4 Cg_endo -67.18 -45.62 3.71 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.768 1.645 . . . . 0.0 112.984 -173.2 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.64 -38.66 85.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.83 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 42.6 t -62.25 -48.46 88.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.742 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -61.77 -44.73 96.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.327 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.16 -52.3 66.13 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.017 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . 0.447 HD22 ' N ' ' A' ' 47' ' ' ASN . 0.9 OUTLIER -66.99 -32.85 74.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.372 -176.372 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -55.31 -56.3 21.68 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.943 177.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 53' ' ' ARG . 21.9 mt-10 -72.91 -31.32 64.57 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.279 178.727 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.1 tp -57.24 -51.52 69.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.148 0.499 . . . . 0.0 110.162 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.825 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -68.57 -36.36 78.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.445 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.86 -49.66 69.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.735 0.302 . . . . 0.0 110.859 178.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -58.81 -44.8 90.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.45 178.06 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -60.25 -49.65 76.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.69 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.87 -41.68 92.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.119 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.02 -46.92 86.99 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 120.968 0.413 . . . . 0.0 110.995 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.502 ' HA3' HD13 ' A' ' 6' ' ' LEU . . . -69.36 -36.14 77.65 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.266 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.18 -40.75 86.61 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.803 0.335 . . . . 0.0 111.092 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.423 HD23 HD11 ' A' ' 62' ' ' ILE . 52.5 mt -63.72 -36.02 82.49 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.109 0.481 . . . . 0.0 110.546 176.693 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -63.79 -45.36 90.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.137 172.554 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.39 -48.21 82.73 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.245 -177.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ILE . . . . . 0.423 HD11 HD23 ' A' ' 59' ' ' LEU . 38.2 pt -73.09 -8.78 12.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -175.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -82.09 -48.14 11.72 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 176.199 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.2 t -85.22 -44.23 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.326 -176.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.535 ' HD3' ' OE2' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -101.53 141.4 34.46 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.63 -175.011 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -68.23 119.64 69.08 Favored Pre-proline 0 C--O 1.235 0.324 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.617 172.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -74.23 107.76 2.51 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 123.057 2.505 . . . . 0.0 111.036 176.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -110.16 -36.79 5.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.656 -174.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -102.02 -39.02 7.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.397 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.411 HG21 HG22 ' A' ' 113' ' ' VAL . 12.3 p -92.41 158.93 2.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.624 174.226 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -136.19 158.76 43.65 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -57.77 -49.15 77.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.13 -177.696 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.21 -39.22 75.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.074 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -63.17 -34.68 78.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.908 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.1 mm -62.81 -44.63 99.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.897 0.379 . . . . 0.0 111.108 -177.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -70.66 -41.34 72.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.063 0.459 . . . . 0.0 109.868 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.06 -45.15 93.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.623 -178.535 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.493 HG13 HG13 ' A' ' 106' ' ' VAL . 76.8 t -68.58 -41.0 82.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 121.168 -0.213 . . . . 0.0 111.424 -177.298 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LYS . . . . . 0.825 ' HG3' ' HB1' ' A' ' 51' ' ' ALA . 86.6 tttt -57.41 -44.3 84.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.232 0.539 . . . . 0.0 110.19 177.461 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.52 -51.36 51.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.017 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -65.08 -28.9 69.77 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.666 -177.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PHE . . . . . 0.406 ' O ' HG23 ' A' ' 86' ' ' VAL . 58.6 t80 -65.47 -50.89 63.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.885 0.374 . . . . 0.0 110.087 177.233 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.65 -35.09 79.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.459 177.371 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -60.34 -50.16 74.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.18 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.03 -48.53 73.29 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.485 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 82' ' ' PHE . 58.5 t -59.43 -45.27 93.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.906 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.4 tp -65.09 -48.06 75.03 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.009 0.433 . . . . 0.0 111.035 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -71.74 -15.78 62.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -69.7 -33.55 72.68 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -76.05 -53.39 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.26 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.2 m -85.37 -33.83 8.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.602 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' HIS . . . . . 0.513 ' HB3' ' HE1' ' A' ' 24' ' ' TYR . 18.2 p80 37.05 81.48 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.264 1.025 . . . . 0.0 113.601 -177.759 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -102.07 -0.33 33.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.146 0.498 . . . . 0.0 110.232 173.182 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 34.7 pt -91.12 158.03 2.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 173.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -83.05 -69.7 0.61 Allowed 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.27 -177.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -164.85 -43.57 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.336 -172.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -61.65 -43.37 98.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.105 -172.592 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -64.77 -34.42 78.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.622 0.249 . . . . 0.0 111.237 -179.095 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -64.5 -37.07 86.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.141 -174.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -62.2 -52.16 64.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.316 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -57.91 -45.57 86.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.315 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 77.2 mt -57.13 -50.32 76.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.307 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.2 m -58.42 -45.44 88.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.428 178.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -60.32 -50.31 74.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.579 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.2 t -62.3 -42.75 99.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.142 -176.541 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.606 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 98.0 t -66.73 -56.95 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.651 179.312 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.85 -45.37 82.45 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.88 -177.358 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -57.35 -45.88 83.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.81 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.468 ' HB ' HG21 ' A' ' 78' ' ' VAL . 25.8 m -69.59 -37.9 77.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 83.3 mt -58.49 -44.55 89.43 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.674 0.273 . . . . 0.0 110.472 177.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -64.99 -34.35 78.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.685 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.47 -41.91 92.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.411 HG22 HG21 ' A' ' 70' ' ' VAL . 55.2 t -72.06 -47.98 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.126 0.489 . . . . 0.0 109.84 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' LYS . . . . . 0.436 ' HD3' ' C ' ' A' ' 114' ' ' LYS . 1.3 tmtp? -59.33 -42.91 92.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.375 -178.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -63.53 -47.59 80.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.273 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 21.4 mt-10 -61.57 -45.73 92.88 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 121.221 -0.192 . . . . 0.0 110.924 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 113' ' ' VAL . 84.1 mt -57.44 -50.33 77.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.957 0.408 . . . . 0.0 110.92 177.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ALA . . . . . 0.921 ' HA ' ' HB3' ' A' ' 122' ' ' SER . . . -73.43 -11.76 60.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.574 -177.593 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -92.85 -53.04 4.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.188 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.535 ' OE2' ' HD3' ' A' ' 65' ' ' ARG . 5.2 mm-40 -64.99 -52.97 53.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.741 -176.479 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -173.8 103.9 0.12 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.996 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . 0.921 ' HB3' ' HA ' ' A' ' 118' ' ' ALA . 7.3 p -96.12 -54.55 3.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.308 -176.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 . . . . . 0 N--CA 1.467 0.402 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.373 176.592 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.0 tp . . . . . 0 CA--C 1.531 0.212 0 CA-C-O 121.045 0.45 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.646 HD21 ' HG2' ' A' ' 114' ' ' LYS . 1.7 tm? -72.45 -47.92 45.08 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.59 -39.58 88.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.59 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 77.1 mtp -57.59 -44.03 85.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.425 175.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.449 ' O ' HG13 ' A' ' 14' ' ' ILE . 30.9 m -66.21 -49.39 67.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.618 178.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -52.99 -41.15 64.33 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 111.443 175.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.413 ' O ' HG23 ' A' ' 16' ' ' VAL . 52.7 tp60 -63.2 -46.17 88.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.687 177.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 90.1 mtp -63.11 -34.36 77.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.973 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 10' ' ' THR . 83.8 mt -61.98 -42.55 95.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.489 176.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -66.6 -43.07 85.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.634 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.565 ' HB ' ' HZ ' ' A' ' 82' ' ' PHE . 58.5 t -61.41 -42.4 93.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.561 0.219 . . . . 0.0 110.624 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.69 -51.38 70.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.792 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -65.48 -32.94 74.82 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.723 178.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -63.63 -45.68 89.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.583 0.23 . . . . 0.0 110.701 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.24 -41.08 96.99 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.845 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.421 ' HA ' ' HE2' ' A' ' 99' ' ' PHE . . . -65.39 -42.12 92.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.384 . . . . 0.0 110.586 177.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -66.16 -38.95 89.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.597 177.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -57.52 -47.47 81.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.433 -179.636 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -75.46 -33.7 60.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.949 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.305 -178.275 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.499 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 28.5 tptp . . . . . 0 CA--C 1.537 0.468 0 CA-C-O 119.818 -0.134 . . . . 0.0 111.241 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.616 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 44.0 Cg_endo -69.41 -34.52 15.56 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.84 1.693 . . . . 0.0 112.278 177.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.29 -38.98 74.79 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.484 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 86.4 t -63.65 -45.91 96.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.425 177.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -60.94 -45.08 96.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.481 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.616 ' HG2' ' O ' ' A' ' 42' ' ' PRO . 5.6 mm-40 -55.62 -57.2 12.97 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -63.03 -39.0 93.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.56 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.32 -50.14 74.67 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.823 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.83 -40.51 88.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.151 176.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.8 tp -58.19 -53.78 54.46 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.926 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.673 ' HB1' ' HG2' ' A' ' 79' ' ' LYS . . . -62.16 -42.02 98.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.966 -178.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.73 99.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.994 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -71.79 -42.61 66.9 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.769 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 81.2 t90 -62.19 -47.62 83.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.773 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.47 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.77 -45.84 85.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.987 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.26 -44.35 60.02 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.734 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.99 99.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.721 0.296 . . . . 0.0 111.036 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.1 mt -61.15 -36.41 79.73 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.935 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -67.35 -46.85 72.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.924 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.62 -46.58 88.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.828 -177.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.804 ' HB ' ' HD3' ' A' ' 67' ' ' PRO . 40.5 pt -71.64 -17.61 19.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 111.19 -178.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -81.13 -40.73 23.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 175.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 77.3 t -68.49 -52.38 37.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.903 0.383 . . . . 0.0 110.319 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.507 ' HA ' ' HE ' ' A' ' 65' ' ' ARG . 0.3 OUTLIER -87.27 -106.14 0.07 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.774 178.682 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.735 ' HA ' ' HE ' ' A' ' 66' ' ' ARG . 0.1 OUTLIER 172.91 123.69 0.08 OUTLIER Pre-proline 0 C--N 1.332 -0.191 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.215 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.804 ' HD3' ' HB ' ' A' ' 62' ' ' ILE . 24.7 Cg_endo -63.37 103.05 0.35 Allowed 'Trans proline' 0 C--O 1.238 0.486 0 C-N-CA 122.326 2.018 . . . . 0.0 111.91 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -93.23 -53.26 4.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.792 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -96.89 -37.96 10.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.466 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.6 p -79.31 152.29 4.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.024 0.44 . . . . 0.0 110.524 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.47 ' HD2' ' HB3' ' A' ' 73' ' ' GLU . 7.2 t60 -107.67 132.37 53.4 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -58.15 -48.94 78.72 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.594 0.235 . . . . 0.0 111.261 -174.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.47 ' HB3' ' HD2' ' A' ' 71' ' ' HIS . 29.5 tt0 -52.54 -37.52 57.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.877 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -67.45 -37.41 82.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.13 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.463 HD12 HD13 ' A' ' 62' ' ' ILE . 71.4 mt -63.28 -45.31 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.116 0.484 . . . . 0.0 109.941 176.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -66.75 -34.93 78.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.426 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.76 -46.82 43.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.406 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 82' ' ' PHE . 40.7 t -57.97 -40.39 76.36 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.336 0 CA-C-N 116.827 -0.17 . . . . 0.0 111.381 -178.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.673 ' HG2' ' HB1' ' A' ' 51' ' ' ALA . 13.3 tmtt? -53.99 -49.06 69.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.322 0.582 . . . . 0.0 110.912 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -76.43 -45.91 29.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.441 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -64.21 -31.64 72.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.19 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.565 ' HZ ' ' HB ' ' A' ' 16' ' ' VAL . 44.1 t80 -64.56 -39.09 93.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.797 0.332 . . . . 0.0 110.347 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 65.4 mt -64.78 -42.96 94.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.643 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.38 -30.48 67.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.829 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.457 HD12 HG22 ' A' ' 102' ' ' ILE . 6.6 tt -60.31 -53.16 60.94 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 177.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.4 t -59.04 -43.07 88.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.456 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.511 ' O ' HG22 ' A' ' 91' ' ' VAL . 58.1 tp -58.9 -58.85 6.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.873 179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.435 ' HB3' ' HB ' ' A' ' 94' ' ' ILE . 2.5 mp0 -62.75 -27.37 69.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.026 -176.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.4 t -61.72 -44.16 97.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.936 0.398 . . . . 0.0 110.932 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -90.43 -37.95 13.6 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -175.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 87' ' ' LEU . 21.2 m -81.29 -16.09 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.568 -177.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 57.3 m170 65.26 26.56 12.21 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 122.797 0.439 . . . . 0.0 111.543 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.473 ' H ' HG23 ' A' ' 91' ' ' VAL . 77.0 t60 -76.26 -12.74 60.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.172 0.511 . . . . 0.0 110.362 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.76 HG12 ' HB2' ' A' ' 99' ' ' PHE . 10.1 tp -84.49 151.39 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.675 178.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -87.28 -76.96 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.135 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -153.76 -76.07 0.12 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.992 0.425 . . . . 0.0 112.047 -176.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -64.35 -36.75 85.14 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -167.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -68.64 -29.65 68.19 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.607 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.76 ' HB2' HG12 ' A' ' 94' ' ' ILE . 47.7 t80 -66.77 -46.79 74.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.159 0.504 . . . . 0.0 110.21 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -73.2 -29.01 62.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.204 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -68.12 -48.94 64.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.253 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.471 ' O ' HG23 ' A' ' 106' ' ' VAL . 80.6 mt -59.86 -46.72 93.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.219 176.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 38.4 m -57.97 -44.62 87.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 110.584 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -61.53 -45.13 95.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.585 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.7 m -63.47 -38.91 92.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.625 0.25 . . . . 0.0 111.081 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 102' ' ' ILE . 72.3 t -65.29 -52.03 57.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.415 177.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 88.7 mt -57.37 -43.94 83.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.948 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -54.97 -54.32 44.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.982 175.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.504 ' O ' HG23 ' A' ' 113' ' ' VAL . 46.7 m -63.13 -44.87 94.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.408 -177.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.445 HD22 HG23 ' A' ' 10' ' ' THR . 86.8 mt -61.01 -38.62 86.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.247 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -64.8 -37.0 86.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.833 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.7 -40.73 76.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.523 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.544 ' O ' HG13 ' A' ' 117' ' ' ILE . 61.9 t -68.33 -43.16 84.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.195 0.522 . . . . 0.0 109.616 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.646 ' HG2' HD21 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -54.42 -40.29 68.14 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.55 179.569 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 119' ' ' ARG . 22.3 t70 -65.38 -51.82 57.79 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.85 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -69.9 -26.79 64.33 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -174.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 113' ' ' VAL . 75.2 mt -63.13 -50.7 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.133 0.492 . . . . 0.0 110.004 172.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.47 -18.76 60.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.503 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 115' ' ' ASP . 13.2 ttt85 -72.13 -31.15 65.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.27 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 . . . . . 0 C--N 1.324 -0.514 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 171.548 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.6 tp . . . . . 0 C--O 1.233 0.195 0 CA-C-O 121.609 0.719 . . . . 0.0 109.171 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -45.23 70.24 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.011 -176.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -57.05 -50.49 72.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.975 0.416 . . . . 0.0 110.364 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 57.4 mtp -59.13 -34.96 72.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.123 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.501 ' O ' HG13 ' A' ' 14' ' ' ILE . 30.8 m -72.96 -49.07 31.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.27 176.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -54.54 -42.13 70.56 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.625 177.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.411 ' O ' HG23 ' A' ' 16' ' ' VAL . 7.0 tm0? -63.17 -44.96 93.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.857 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.461 ' SD ' HD21 ' A' ' 110' ' ' LEU . 50.9 ttm -61.77 -39.3 91.18 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.628 177.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 10' ' ' THR . 66.1 mt -63.68 -43.82 98.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 120.94 0.4 . . . . 0.0 110.594 176.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.23 -46.01 91.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.009 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 12' ' ' GLN . 70.5 t -62.84 -41.86 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.724 178.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.51 -52.03 66.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.863 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -55.55 -54.99 37.1 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.443 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.58 ' HA ' ' HB3' ' A' ' 22' ' ' ASP . 2.3 mptp? -70.64 -20.58 62.71 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -174.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.42 -48.44 44.64 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.239 -0.981 . . . . 0.0 111.213 174.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.404 ' HA ' ' HE1' ' A' ' 99' ' ' PHE . . . -67.63 -35.33 78.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.106 0.479 . . . . 0.0 109.918 175.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.58 ' HB3' ' HA ' ' A' ' 19' ' ' LYS . 23.3 t70 -58.0 -46.9 84.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.602 175.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -70.21 -35.0 73.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.517 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -66.73 -35.93 81.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.146 0.498 . . . . 0.0 109.946 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 . . . . . 0 C--N 1.327 -0.383 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.097 176.417 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.468 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 25.6 ttpp . . . . . 0 CA--C 1.543 0.693 0 N-CA-C 112.484 0.55 . . . . 0.0 112.484 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.468 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 57.8 Cg_endo -72.01 -16.31 28.99 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.884 1.723 . . . . 0.0 112.885 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.35 -34.43 68.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.008 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.2 t -63.52 -36.26 75.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.391 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -65.84 -48.63 71.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.636 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -54.86 -59.74 4.31 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.835 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -59.79 -36.09 75.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.004 -175.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.536 ' HA ' HD21 ' A' ' 83' ' ' LEU . 30.2 t70 -64.87 -52.16 58.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.505 0.193 . . . . 0.0 110.775 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -61.87 -39.16 90.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.061 0.458 . . . . 0.0 110.767 176.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 tp -59.28 -53.24 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.488 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.37 -38.17 90.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.071 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.519 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . . . -61.39 -54.64 41.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -33.32 74.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.416 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -62.12 -50.62 71.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.493 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.35 -44.5 97.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -60.2 -42.53 95.3 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.13 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.92 -42.36 85.91 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.103 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.25 97.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.782 0.325 . . . . 0.0 110.851 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.452 HD23 HD11 ' A' ' 62' ' ' ILE . 71.5 mt -61.78 -41.18 97.39 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.632 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 10.3 tp10 -60.83 -44.16 97.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.36 0.6 . . . . 0.0 110.501 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.54 -45.64 82.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.586 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.722 ' HB ' ' HD3' ' A' ' 67' ' ' PRO . 44.4 pt -74.91 -20.09 16.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -174.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.632 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -79.9 -28.28 39.85 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.912 176.517 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.4 t -79.62 -49.72 19.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.205 0.526 . . . . 0.0 110.131 173.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.543 ' O ' ' HA ' ' A' ' 62' ' ' ILE . 37.8 mtp85 -126.79 121.06 30.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.794 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 66' ' ' ARG . 48.2 mtt-85 -52.44 139.97 36.73 Favored Pre-proline 0 C--O 1.236 0.346 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.696 -171.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.722 ' HD3' ' HB ' ' A' ' 62' ' ' ILE . 42.3 Cg_endo -68.38 119.37 6.37 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.871 2.381 . . . . 0.0 111.205 174.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -93.78 -64.57 1.07 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.746 -173.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -80.62 -53.15 6.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.013 0.435 . . . . 0.0 110.886 177.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.567 ' O ' ' HB2' ' A' ' 67' ' ' PRO . 14.8 p -78.29 150.97 5.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.246 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -114.77 154.55 28.34 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -64.85 -33.59 76.36 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -54.42 -44.14 72.13 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.09 174.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.406 ' O ' HG23 ' A' ' 78' ' ' VAL . 83.6 mm-40 -67.77 -44.02 78.43 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.771 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.12 -42.56 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.816 0.341 . . . . 0.0 111.11 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -71.1 -33.59 70.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 0.0 110.737 -178.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.41 -43.58 39.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.585 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.424 HG21 HG21 ' A' ' 109' ' ' THR . 50.7 t -62.41 -35.15 68.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 -176.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.519 ' HE3' ' HA ' ' A' ' 52' ' ' ALA . 78.0 tttt -57.37 -47.56 81.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.073 0.464 . . . . 0.0 110.11 176.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.59 -43.44 84.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.353 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.478 ' O ' ' HB2' ' A' ' 85' ' ' LEU . 91.0 m-20 -62.99 -34.58 77.84 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.262 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.428 ' CE1' ' HG3' ' A' ' 13' ' ' MET . 51.5 t80 -66.99 -50.02 63.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.604 0.24 . . . . 0.0 110.788 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.536 HD21 ' HA ' ' A' ' 48' ' ' ASP . 79.3 mt -63.63 -39.53 94.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.783 0.325 . . . . 0.0 110.389 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 5.8 mm-40 -62.75 -42.86 99.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.718 174.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.533 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -57.92 -43.69 86.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.36 -178.841 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 82' ' ' PHE . 88.1 t -57.01 -49.36 79.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.509 177.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.526 ' O ' HG22 ' A' ' 91' ' ' VAL . 45.2 tp -67.21 -45.58 76.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.422 -177.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.533 ' HG2' ' HA ' ' A' ' 85' ' ' LEU . 20.5 pt20 -67.66 -21.2 65.37 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -175.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 67.3 m -71.27 -23.91 62.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.607 0.241 . . . . 0.0 111.164 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -101.33 -57.86 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.425 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 87' ' ' LEU . 33.3 m -76.27 -17.83 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.735 0.302 . . . . 0.0 111.647 -175.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 30.7 m170 57.82 43.12 22.24 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.006 175.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -80.53 26.11 0.4 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.129 0.49 . . . . 0.0 111.296 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.468 HG22 ' HB2' ' A' ' 88' ' ' GLN . 18.2 tt -154.81 152.25 9.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -178.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -100.58 171.38 7.76 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.839 -175.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -47.76 -54.74 11.36 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.88 -171.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -60.87 -43.63 98.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.568 -169.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.423 ' HD2' HH11 ' A' ' 98' ' ' ARG . 27.8 mtp85 -79.06 -31.77 44.58 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.496 -178.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.404 ' HE1' ' HA ' ' A' ' 21' ' ' ALA . 49.2 t80 -61.74 -47.84 83.44 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.23 0.538 . . . . 0.0 110.39 178.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -65.01 -41.2 95.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.436 -177.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -68.71 -39.04 80.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.993 -177.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.475 ' O ' HG23 ' A' ' 106' ' ' VAL . 43.1 mt -61.25 -44.99 99.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.033 174.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 28.2 m -57.66 -46.03 84.76 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.414 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -56.19 -49.14 74.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.304 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.5 m -59.16 -41.14 87.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.226 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 102' ' ' ILE . 69.9 t -67.6 -50.0 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.378 178.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 67.0 mt -58.77 -43.92 90.49 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.354 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -53.68 -52.34 60.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.972 0.415 . . . . 0.0 110.726 176.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.424 HG21 HG21 ' A' ' 78' ' ' VAL . 32.1 m -63.41 -42.58 98.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.31 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.501 HD13 HG12 ' A' ' 14' ' ' ILE . 91.9 mt -61.93 -37.47 84.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.581 -178.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 57.9 m170 -64.77 -41.62 95.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.141 0.496 . . . . 0.0 109.887 177.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.57 92.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.592 -177.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.577 ' O ' HG13 ' A' ' 117' ' ' ILE . 99.8 t -69.57 -45.78 77.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.932 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -56.92 -49.03 76.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.515 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.89 -37.5 86.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.976 -177.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.676 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 18.2 mm-40 -63.57 -43.46 96.94 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.819 177.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 113' ' ' VAL . 86.7 mt -55.02 -51.89 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 110.875 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.24 -27.51 65.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.018 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -68.73 -51.56 40.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.932 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.676 ' HG2' ' O ' ' A' ' 116' ' ' GLU . 3.3 mm-40 . . . . . 0 C--N 1.327 -0.381 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.69 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.8 tp . . . . . 0 C--O 1.233 0.188 0 CA-C-O 120.989 0.423 . . . . 0.0 110.337 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 54.8 tp -57.64 -53.54 56.97 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.489 -177.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -65.02 -36.57 84.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.622 0.249 . . . . 0.0 110.92 -177.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 81.5 mtp -59.55 -43.51 93.53 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.078 0.466 . . . . 0.0 110.556 178.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.492 ' O ' HG13 ' A' ' 14' ' ' ILE . 23.9 m -67.57 -47.4 69.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.462 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -56.28 -46.27 79.8 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.199 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.473 ' O ' HG23 ' A' ' 16' ' ' VAL . 64.8 tt0 -63.74 -41.41 98.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 49.9 ttm -62.16 -39.44 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.317 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 10' ' ' THR . 77.2 mt -59.75 -50.94 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.175 175.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.02 -46.8 87.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.243 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 12' ' ' GLN . 93.5 t -59.01 -43.46 89.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.787 0.327 . . . . 0.0 110.8 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.7 83.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.766 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.53 -42.42 98.44 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.394 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -68.85 -33.21 73.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.701 0.286 . . . . 0.0 110.906 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.27 -40.44 92.11 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.564 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.498 ' HA ' ' CE2' ' A' ' 99' ' ' PHE . . . -65.26 -41.65 94.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.074 0.464 . . . . 0.0 110.476 176.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.5 -38.03 88.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.568 176.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -70.56 -34.21 71.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.935 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -71.18 -35.4 71.58 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 174.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.564 177.089 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.618 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 69.6 tttt . . . . . 0 CA--C 1.538 0.482 0 CA-C-O 119.614 -0.231 . . . . 0.0 111.065 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.618 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 2.6 Cg_exo -75.62 -52.25 0.1 Allowed 'Trans proline' 0 C--N 1.358 1.053 0 C-N-CA 121.797 1.665 . . . . 0.0 112.191 -174.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.89 -39.95 91.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.181 -178.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.3 t -57.03 -46.94 84.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.954 -178.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -71.32 -45.54 62.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.467 -178.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -61.69 -52.28 64.95 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.851 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.446 HD22 ' HE2' ' A' ' 82' ' ' PHE . 16.1 m120 -64.86 -28.11 69.33 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.097 0.248 . . . . 0.0 111.44 -177.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -60.23 -54.03 50.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.739 0.304 . . . . 0.0 110.262 174.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -68.48 -34.76 76.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.509 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.7 tp -58.4 -53.12 61.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.06 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.26 -32.99 73.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.141 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.06 -49.72 73.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.792 0.329 . . . . 0.0 110.781 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -38.18 87.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.459 178.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -63.16 -43.89 97.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.31 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.75 80.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.975 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.31 -42.31 98.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.243 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.13 -42.66 83.59 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.19 178.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 62' ' ' ILE . . . -64.78 -36.37 84.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.578 0.228 . . . . 0.0 110.661 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.545 HD23 HD11 ' A' ' 62' ' ' ILE . 32.9 mt -61.79 -34.19 75.44 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.75 175.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 9.7 tp10 -71.09 -43.42 67.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.914 175.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.29 -47.29 84.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.637 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.545 HD11 HD23 ' A' ' 59' ' ' LEU . 36.4 pt -73.98 -11.81 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.003 0.43 . . . . 0.0 110.966 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -77.31 -33.99 55.5 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 174.786 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.6 t -88.87 -49.32 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.077 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.87 ' HD2' ' HA ' ' A' ' 120' ' ' GLU . 4.6 mmp_? -81.14 -32.29 33.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.071 -176.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 3.3 mpt_? 71.83 137.85 0.05 OUTLIER Pre-proline 0 N--CA 1.465 0.293 0 O-C-N 123.981 0.8 . . . . 0.0 110.341 -170.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 36.9 Cg_exo -60.57 103.98 0.24 Allowed 'Trans proline' 0 CA--C 1.53 0.275 0 C-N-CA 122.944 2.429 . . . . 0.0 112.664 -177.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -102.99 -53.91 2.73 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -86.19 -56.97 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.301 0.572 . . . . 0.0 110.151 175.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.448 HG23 HG23 ' A' ' 109' ' ' THR . 10.0 p -84.79 161.06 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.776 -176.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.479 ' HB3' ' HG2' ' A' ' 74' ' ' GLN . 73.9 t60 -110.02 141.69 42.48 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -56.3 -44.38 79.8 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 117.949 0.34 . . . . 0.0 111.647 -172.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -55.54 -27.09 46.86 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.622 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.604 ' O ' HG23 ' A' ' 78' ' ' VAL . 72.6 mm-40 -71.06 -45.31 64.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.22 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.468 ' H ' HD12 ' A' ' 75' ' ' ILE . 3.7 mp -55.6 -45.82 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 121.141 0.496 . . . . 0.0 110.573 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -72.56 -28.35 62.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.187 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.59 -34.24 40.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 74' ' ' GLN . 47.4 t -55.59 -42.45 68.76 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.353 -179.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.431 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 75.9 tttt -54.94 -52.93 61.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.958 0.409 . . . . 0.0 111.148 -178.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.69 -43.08 66.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.048 -176.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -64.11 -33.94 76.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.267 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.446 ' HE2' HD22 ' A' ' 47' ' ' ASN . 64.3 t80 -69.05 -43.08 75.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.455 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 79' ' ' LYS . 94.5 mt -62.13 -41.9 98.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.032 0.444 . . . . 0.0 110.262 177.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 15.0 tp10 -63.1 -44.73 94.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.092 175.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.436 HD11 ' HA ' ' A' ' 103' ' ' THR . 6.8 tt -55.66 -49.82 71.87 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.814 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.1 t -61.37 -43.95 97.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.734 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.61 ' O ' HG22 ' A' ' 91' ' ' VAL . 57.1 tp -64.23 -53.16 53.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -178.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 13.7 pt20 -61.91 -26.54 68.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.611 -176.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.5 t -65.92 -39.62 90.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.731 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -88.28 -49.36 7.03 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.61 HG22 ' O ' ' A' ' 87' ' ' LEU . 34.5 m -76.5 -21.18 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.655 -175.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 33.9 m170 61.81 41.72 11.39 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 122.634 0.374 . . . . 0.0 111.94 176.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.436 ' HD2' HG23 ' A' ' 94' ' ' ILE . 1.6 p-80 -89.1 28.88 1.13 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.316 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.436 HG23 ' HD2' ' A' ' 93' ' ' HIS . 23.3 pt -140.15 -178.31 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.16 0.505 . . . . 0.0 110.824 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -104.03 155.69 18.47 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 170.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -53.5 -42.52 67.43 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -171.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.474 ' NZ ' ' HB2' ' A' ' 97' ' ' LYS . 4.4 ttmp? -61.03 -35.66 77.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.704 0.288 . . . . 0.0 111.656 -177.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -64.68 -35.96 82.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.171 0.51 . . . . 0.0 110.506 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.498 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 77.3 t80 -66.76 -43.56 83.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.291 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -63.55 -46.38 86.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.488 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.55 -54.48 45.45 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.117 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.475 ' O ' HG23 ' A' ' 106' ' ' VAL . 67.5 mt -59.68 -47.29 91.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.948 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.436 ' HA ' HD11 ' A' ' 85' ' ' LEU . 41.2 m -60.45 -45.8 92.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 111.037 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -65.93 -43.54 87.77 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.56 -177.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.9 t -58.83 -41.09 86.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.64 177.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 102' ' ' ILE . 95.4 t -69.17 -48.93 66.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.716 178.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.42 -41.93 86.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.646 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -60.28 -46.61 89.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.906 0.384 . . . . 0.0 110.222 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.463 ' O ' HG23 ' A' ' 113' ' ' VAL . 55.4 m -60.8 -45.58 93.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.095 179.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 96.0 mt -59.71 -41.32 90.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.286 -178.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -68.54 -32.47 72.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.43 -40.69 77.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.906 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 109' ' ' THR . 63.6 t -71.94 -39.75 67.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.138 0.494 . . . . 0.0 110.134 -178.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -60.46 -37.97 82.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.586 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -72.93 -34.68 66.74 Favored 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.434 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -63.11 -40.48 97.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.263 0.554 . . . . 0.0 109.987 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 113' ' ' VAL . 79.8 mt -62.21 -39.82 85.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.32 176.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.89 -30.28 67.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.295 0.569 . . . . 0.0 110.259 175.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -80.08 -4.48 52.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.654 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.87 ' HA ' ' HD2' ' A' ' 65' ' ' ARG . 7.9 tp10 . . . . . 0 N--CA 1.466 0.333 0 CA-C-O 121.506 0.67 . . . . 0.0 109.793 169.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.7 tp . . . . . 0 C--O 1.232 0.18 0 CA-C-O 121.463 0.649 . . . . 0.0 110.343 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.505 ' HG ' ' HG2' ' A' ' 11' ' ' GLU . 34.3 tp -74.54 -37.0 63.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.223 -175.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -59.56 -42.76 93.15 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -172.549 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -62.02 -40.03 94.32 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.282 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.481 ' O ' HG12 ' A' ' 14' ' ' ILE . 41.1 m -63.84 -48.6 76.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.168 176.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.505 ' HG2' ' HG ' ' A' ' 7' ' ' LEU . 19.5 mm-40 -57.7 -43.16 84.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.352 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.498 ' O ' HG23 ' A' ' 16' ' ' VAL . 55.2 tp60 -67.39 -40.55 85.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.409 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.604 ' SD ' HD21 ' A' ' 110' ' ' LEU . 47.4 ttm -66.64 -36.94 83.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.243 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 10' ' ' THR . 18.0 mm -55.2 -47.79 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.216 0.531 . . . . 0.0 110.007 173.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.573 ' HG2' ' HD3' ' A' ' 19' ' ' LYS . 37.5 tt0 -65.84 -44.95 83.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.171 -177.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 12' ' ' GLN . 99.8 t -62.2 -39.66 84.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.533 0.206 . . . . 0.0 110.851 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.59 -54.38 32.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.526 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -57.03 -55.17 38.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.1 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.573 ' HD3' ' HG2' ' A' ' 15' ' ' GLU . 41.9 mtpt -72.48 -28.75 63.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.679 -175.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.97 -48.57 59.77 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.567 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.83 95.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.981 0.42 . . . . 0.0 110.673 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -64.21 -42.5 96.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.778 177.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -62.86 -37.75 88.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.463 0.649 . . . . 0.0 110.42 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -71.39 -34.92 70.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.322 177.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 . . . . . 0 C--O 1.236 0.345 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.34 178.332 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.606 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 64.8 tttp . . . . . 0 CA--C 1.532 0.253 0 CA-C-O 119.378 -0.344 . . . . 0.0 111.319 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.606 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 22.6 Cg_exo -64.07 -50.28 3.08 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.595 1.53 . . . . 0.0 111.636 -177.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.88 -40.55 76.41 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.997 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.95 -47.41 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.009 0.433 . . . . 0.0 110.914 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -69.35 -39.19 78.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.594 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -64.25 -49.05 73.41 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.077 176.789 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -65.42 -36.73 84.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.472 -176.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.67 -57.28 12.11 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.23 0.331 . . . . 0.0 111.273 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 53' ' ' ARG . 39.4 mt-10 -73.09 -27.91 61.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.045 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 13.4 tp -60.09 -53.04 62.44 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 178.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.39 -40.34 89.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.953 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.73 96.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.366 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 4.3 mmm180 -74.61 -34.55 62.84 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.811 0.339 . . . . 0.0 110.964 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.7 t90 -65.87 -49.38 68.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.04 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.01 93.5 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.847 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -55.73 -48.14 75.71 Favored 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 123.212 0.605 . . . . 0.0 111.343 178.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.38 -41.94 57.62 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.518 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.67 98.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.719 0.295 . . . . 0.0 111.013 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.507 HD23 HD11 ' A' ' 62' ' ' ILE . 26.7 mt -61.38 -41.78 97.66 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.733 177.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.537 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 5.3 tp10 -63.06 -45.4 92.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.352 0.596 . . . . 0.0 109.852 177.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.99 -49.93 75.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.283 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.507 HD11 HD23 ' A' ' 59' ' ' LEU . 34.1 pt -71.13 -24.86 24.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -174.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -82.1 -20.59 37.82 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.654 179.499 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.5 t -95.99 -53.34 8.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.393 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 32.1 ttt85 -91.56 -5.47 53.99 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -173.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.584 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 91.3 mtt180 77.28 150.2 0.12 Allowed Pre-proline 0 N--CA 1.471 0.588 0 C-N-CA 123.048 0.539 . . . . 0.0 111.268 -177.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 12.2 Cg_exo -71.02 90.36 0.65 Allowed 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.659 2.239 . . . . 0.0 111.387 174.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -82.97 -60.76 2.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 -175.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -94.43 -56.37 2.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.267 0.556 . . . . 0.0 110.395 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.491 HG21 HG23 ' A' ' 109' ' ' THR . 12.6 p -87.43 150.89 3.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.416 -177.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -104.18 156.77 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -57.6 -40.29 78.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.932 0.396 . . . . 0.0 110.767 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.05 -29.49 69.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.087 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.471 ' O ' HG23 ' A' ' 78' ' ' VAL . 75.5 mm-40 -68.15 -44.68 75.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.842 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.0 mp -58.81 -44.07 89.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 121.073 0.464 . . . . 0.0 110.23 178.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -70.64 -29.61 66.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.805 -178.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.66 -45.74 57.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 177.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 74' ' ' GLN . 78.1 t -59.02 -39.76 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.769 -178.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -56.87 -46.78 81.6 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.068 0.461 . . . . 0.0 110.372 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -73.92 -46.98 40.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.49 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -56.88 -44.01 81.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.46 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.436 ' O ' HG23 ' A' ' 86' ' ' VAL . 41.5 t80 -61.19 -52.45 64.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -176.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 45.7 mt -66.59 -38.92 88.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.303 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 7.4 mm-40 -62.94 -49.54 74.35 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.524 175.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.3 tt -52.55 -48.61 66.02 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.408 0.443 . . . . 0.0 110.664 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 82' ' ' PHE . 91.8 t -56.97 -50.09 77.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.99 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.423 ' O ' HG22 ' A' ' 91' ' ' VAL . 43.6 tp -68.3 -42.49 79.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.175 -177.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 95.7 mt-30 -65.29 -27.31 68.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.14 -176.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 61.5 m -69.89 -38.53 76.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.824 0.345 . . . . 0.0 110.731 177.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -73.17 -48.67 33.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.208 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 87' ' ' LEU . 29.6 m -84.15 -2.94 7.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.405 -176.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 34.6 m80 60.74 44.6 10.96 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.823 177.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -80.52 -20.39 43.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.439 -178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.0 pp -99.44 -179.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.139 176.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.08 -67.15 0.79 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.613 0.244 . . . . 0.0 110.855 177.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -166.88 -57.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.426 -175.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.434 ' HB3' ' HD3' ' A' ' 98' ' ' ARG . 28.2 tptt -54.02 -57.31 11.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.242 -172.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.434 ' HD3' ' HB3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -75.56 -29.53 59.38 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.057 -176.084 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -58.89 -43.14 90.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.967 0.413 . . . . 0.0 110.588 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -61.96 -51.75 66.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.78 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -61.78 -43.24 99.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.329 -177.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.438 ' O ' HG23 ' A' ' 106' ' ' VAL . 82.8 mt -59.55 -47.12 92.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.534 176.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 37.3 m -60.84 -43.85 97.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.996 0.426 . . . . 0.0 110.285 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -63.38 -37.27 86.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.486 178.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 43.7 m -66.16 -40.52 90.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.705 0.288 . . . . 0.0 110.817 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 102' ' ' ILE . 90.7 t -64.06 -50.59 76.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.258 176.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.33 -40.11 89.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.262 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -53.68 -49.69 67.47 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.059 0.457 . . . . 0.0 110.658 175.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.491 HG23 HG21 ' A' ' 70' ' ' VAL . 89.4 m -62.7 -44.85 95.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.743 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.604 HD21 ' SD ' ' A' ' 13' ' ' MET . 95.5 mt -62.83 -40.41 97.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.495 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -64.27 -37.2 86.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.894 0.378 . . . . 0.0 110.954 178.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.4 -48.95 73.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.9 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 41.1 t -68.08 -34.25 65.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.42 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -55.18 -43.66 74.55 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.569 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -63.43 -49.35 74.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.943 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.49 -53.4 54.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 123.486 0.491 . . . . 0.0 111.151 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 75.6 mt -58.21 -49.37 81.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.333 -177.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.14 -23.74 59.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.188 -176.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -70.55 -53.09 17.46 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.518 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 . . . . . 0 C--O 1.234 0.28 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.452 176.1 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 51.4 tp . . . . . 0 C--O 1.233 0.229 0 N-CA-C 108.71 -0.848 . . . . 0.0 108.71 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.402 HD11 ' HG2' ' A' ' 114' ' ' LYS . 40.0 tp -77.5 -37.49 50.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.757 -177.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -37.06 76.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.077 0.465 . . . . 0.0 110.744 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.516 ' SD ' ' HD2' ' A' ' 53' ' ' ARG . 44.7 ttp -61.52 -37.1 82.47 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.913 172.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.46 ' O ' HG13 ' A' ' 14' ' ' ILE . 62.0 m -66.68 -46.37 75.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.06 175.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.44 -36.9 74.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 176.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.459 ' O ' HG23 ' A' ' 16' ' ' VAL . 48.4 tt0 -61.05 -47.97 83.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.497 175.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.504 ' SD ' HD21 ' A' ' 110' ' ' LEU . 47.3 ttm -61.25 -39.88 92.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.55 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.474 HG12 HD13 ' A' ' 110' ' ' LEU . 80.8 mt -63.87 -44.11 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.266 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.11 -42.64 95.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.673 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 12' ' ' GLN . 98.0 t -63.56 -44.59 98.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 177.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.75 -48.23 77.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.792 0.33 . . . . 0.0 110.885 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -57.15 -53.15 61.35 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.4 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.478 ' HA ' ' HB3' ' A' ' 22' ' ' ASP . 8.0 tptp -69.07 -24.44 64.16 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.211 -177.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.53 -44.65 92.58 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.374 174.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.23 -38.5 78.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.313 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.478 ' HB3' ' HA ' ' A' ' 19' ' ' LYS . 14.5 t70 -60.05 -42.99 95.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.778 175.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 10.5 tpt180 -62.63 -44.63 95.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.476 178.74 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -65.81 -34.81 79.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.879 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 . . . . . 0 C--N 1.328 -0.345 0 CA-C-O 121.067 0.461 . . . . 0.0 110.15 179.455 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 25.0 mmtp . . . . . 0 CA--C 1.532 0.286 0 CA-C-O 119.547 -0.264 . . . . 0.0 110.637 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 49.0 Cg_endo -68.05 -40.14 9.55 Favored 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 121.691 1.594 . . . . 0.0 112.086 -176.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.45 99.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.306 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.5 t -61.69 -41.68 91.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.571 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 44.0 mt-10 -64.42 -50.01 69.26 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.974 0.416 . . . . 0.0 110.71 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -61.35 -59.89 4.58 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.114 -177.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.638 HD22 ' HE2' ' A' ' 82' ' ' PHE . 18.9 m120 -62.41 -26.97 68.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.688 -1.142 . . . . 0.0 112.216 -174.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -66.55 -55.44 15.45 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 176.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.8 -33.94 76.24 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 121.163 0.506 . . . . 0.0 110.163 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.417 HD11 ' OE1' ' A' ' 12' ' ' GLN . 10.9 tp -61.56 -52.44 64.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.201 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.499 ' HB3' ' HG3' ' A' ' 79' ' ' LYS . . . -72.39 -25.65 61.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.957 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.06 -54.88 17.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.547 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.516 ' HD2' ' SD ' ' A' ' 9' ' ' MET . 3.9 tmt_? -59.69 -38.41 81.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.103 177.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -63.62 -52.6 60.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.604 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.46 -43.96 96.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.242 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -58.43 -39.14 78.97 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 120.631 0.253 . . . . 0.0 110.923 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.17 -48.23 20.49 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.554 178.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.02 96.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.657 0.265 . . . . 0.0 111.167 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.475 HD23 HD11 ' A' ' 62' ' ' ILE . 37.0 mt -64.4 -37.61 88.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.993 177.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -62.41 -40.05 95.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.043 0.449 . . . . 0.0 109.964 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.5 tp -62.03 -48.89 78.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.531 HG22 ' HB3' ' A' ' 67' ' ' PRO . 37.1 pt -78.32 -11.34 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.348 0.594 . . . . 0.0 111.107 -177.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -81.82 -39.62 23.72 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.618 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 90.0 t -87.98 -45.95 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.827 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.9 mtp85 -114.94 -166.33 1.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.321 -177.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -104.1 132.49 20.95 Favored Pre-proline 0 C--O 1.236 0.345 0 CA-C-O 120.982 0.42 . . . . 0.0 111.432 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.531 ' HB3' HG22 ' A' ' 62' ' ' ILE . 55.3 Cg_endo -72.06 134.28 23.02 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.493 2.129 . . . . 0.0 111.035 172.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -100.66 -34.72 9.75 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.622 -173.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.548 ' HB2' ' HB1' ' A' ' 112' ' ' ALA . 54.9 m-85 -115.16 -46.02 2.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.041 0.448 . . . . 0.0 111.246 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.53 ' O ' ' HB2' ' A' ' 67' ' ' PRO . 7.4 p -93.59 167.15 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.162 -172.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.425 ' N ' HG22 ' A' ' 70' ' ' VAL . 75.1 m-70 -121.95 177.9 5.11 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 176.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -67.05 -57.76 6.21 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.969 0.414 . . . . 0.0 111.772 -175.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -60.73 -34.33 74.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.111 -173.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.609 ' O ' HG23 ' A' ' 78' ' ' VAL . 12.3 mm-40 -55.04 -53.38 56.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.514 HD12 HD13 ' A' ' 62' ' ' ILE . 75.8 mt -59.73 -39.02 78.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.468 -176.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.459 ' HG2' HD11 ' A' ' 59' ' ' LEU . 29.3 mt-10 -76.93 -33.92 57.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.861 0.362 . . . . 0.0 110.686 -177.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.61 -29.78 61.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.792 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 74' ' ' GLN . 29.7 t -56.64 -42.02 75.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.316 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.499 ' HG3' ' HB3' ' A' ' 51' ' ' ALA . 84.4 tttt -58.52 -49.07 78.72 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.625 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -64.36 -36.25 83.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.33 0.586 . . . . 0.0 110.859 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -75.25 -35.67 61.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.336 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.638 ' HE2' HD22 ' A' ' 47' ' ' ASN . 33.8 t80 -69.41 -36.3 76.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.394 -178.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 79' ' ' LYS . 96.9 mt -63.89 -41.55 97.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.978 174.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 10.4 tp10 -63.16 -42.1 99.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.242 175.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.0 tt -54.5 -45.42 73.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.58 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.54 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.544 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.494 ' O ' HG22 ' A' ' 91' ' ' VAL . 59.9 tp -64.16 -49.63 71.34 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.39 -177.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 12.6 pt20 -65.57 -23.2 66.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.239 -177.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.1 t -67.69 -29.42 68.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.932 0.396 . . . . 0.0 109.999 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -95.72 -57.69 2.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.79 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 87' ' ' LEU . 35.5 m -84.39 -15.82 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -173.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 25.3 m170 59.41 30.63 20.35 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 174.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -82.62 35.15 0.45 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.082 0.468 . . . . 0.0 112.015 -173.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.691 ' HB ' ' HB2' ' A' ' 98' ' ' ARG . 2.1 pp -129.13 13.15 2.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.913 0.387 . . . . 0.0 111.077 -179.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 61.51 -76.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.623 -174.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -162.14 -54.87 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.687 -176.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -66.66 -41.77 87.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.863 -170.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.691 ' HB2' ' HB ' ' A' ' 94' ' ' ILE . 62.8 mtt180 -60.0 -29.39 68.44 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.428 ' HA ' ' NE2' ' A' ' 88' ' ' GLN . 46.3 t80 -59.91 -42.1 93.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.031 0.443 . . . . 0.0 110.167 -179.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -67.79 -53.41 27.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.936 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -56.95 -45.91 82.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.693 -174.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.418 ' O ' HG23 ' A' ' 106' ' ' VAL . 65.5 mt -63.76 -43.59 98.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.4 m -62.91 -42.78 99.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.068 0.461 . . . . 0.0 110.085 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -60.35 -46.78 88.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.066 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.9 m -57.8 -42.85 85.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 0.0 111.009 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.456 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 94.8 t -69.33 -52.36 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.86 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 110' ' ' LEU . 41.1 mt -60.58 -39.28 87.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.778 -177.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -59.58 -42.98 93.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.359 0.599 . . . . 0.0 109.955 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.495 HG21 HG21 ' A' ' 78' ' ' VAL . 30.3 m -70.08 -39.4 75.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.707 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.504 HD21 ' SD ' ' A' ' 13' ' ' MET . 94.1 mt -61.46 -39.76 92.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 178.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -56.8 -44.79 82.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.296 0.57 . . . . 0.0 110.34 175.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.548 ' HB1' ' HB2' ' A' ' 69' ' ' TYR . . . -64.3 -49.3 72.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.492 -177.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.8 t -71.71 -33.91 50.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.031 0.443 . . . . 0.0 110.396 -174.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.402 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -57.88 -47.41 82.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.672 177.625 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.36 -37.96 80.97 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.497 -178.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 112' ' ' ALA . 28.3 mm-40 -54.6 -52.76 61.16 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 111.203 177.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 75.1 mt -58.62 -46.04 90.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.139 -177.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.85 -16.25 58.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.526 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -86.39 -39.55 16.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.388 . . . . 0.0 110.503 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 . . . . . 0 C--N 1.324 -0.5 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.277 -178.773 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.6 tp . . . . . 0 N--CA 1.456 -0.165 0 CA-C-O 121.287 0.565 . . . . 0.0 110.23 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.73 ' HG ' ' HG2' ' A' ' 11' ' ' GLU . 35.1 tp -70.6 -35.78 73.17 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.671 -175.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 9' ' ' MET . 5.9 pt-20 -51.89 -45.92 64.35 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -174.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.454 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 3.5 mpp? -63.06 -42.68 99.73 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.844 0.354 . . . . 0.0 110.314 -178.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.535 ' O ' HG13 ' A' ' 14' ' ' ILE . 19.6 m -64.35 -50.88 65.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.987 178.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.73 ' HG2' ' HG ' ' A' ' 7' ' ' LEU . 23.8 mm-40 -54.46 -49.63 69.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.513 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.427 ' HB3' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -58.56 -48.97 79.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.401 178.17 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.62 ' SD ' HD21 ' A' ' 110' ' ' LEU . 49.8 ttm -62.68 -36.74 83.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.941 -178.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 10' ' ' THR . 78.4 mt -65.13 -51.02 71.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.583 0.23 . . . . 0.0 110.772 178.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.82 -37.66 82.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.995 -176.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 12' ' ' GLN . 72.2 t -64.61 -39.19 84.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.256 175.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.44 -49.54 75.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.498 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -58.9 -48.61 80.82 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.395 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -63.23 -40.27 96.98 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.674 0.273 . . . . 0.0 111.11 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.73 -38.25 94.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.215 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.92 -35.23 74.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.717 0.294 . . . . 0.0 110.825 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.751 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 20.7 t70 -75.43 -32.51 60.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.117 0.484 . . . . 0.0 110.461 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.437 ' HD3' ' O ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -64.41 -39.27 93.52 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 172.697 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.794 ' HE2' ' HA ' ' A' ' 96' ' ' LYS . 27.2 t80 -75.12 -32.55 61.41 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.031 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.751 ' HG3' ' O ' ' A' ' 22' ' ' ASP . 5.1 pp0? . . . . . 0 C--O 1.231 0.114 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.536 179.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.8 mttm . . . . . 0 CA--C 1.539 0.536 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.41 -40.7 23.38 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 121.702 1.601 . . . . 0.0 111.993 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.6 85.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.736 -177.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 99.5 t -61.39 -38.89 81.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.686 0.279 . . . . 0.0 111.014 -179.349 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -70.34 -50.87 34.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.65 0.262 . . . . 0.0 110.95 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -56.03 -55.11 36.8 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.579 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -67.51 -29.19 68.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.144 -174.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.92 -47.58 74.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.782 0.325 . . . . 0.0 110.166 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.49 -40.11 89.09 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.014 0.435 . . . . 0.0 109.907 176.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.427 HD21 ' HB3' ' A' ' 12' ' ' GLN . 13.1 tp -55.62 -53.26 58.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.528 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.69 ' HB1' ' HG2' ' A' ' 79' ' ' LYS . . . -62.78 -38.26 89.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.459 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.0 -52.84 53.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.128 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -34.17 77.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.662 -179.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.413 ' HB2' ' HB3' ' A' ' 9' ' ' MET . 79.1 t90 -66.0 -49.31 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.167 176.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.75 -44.86 82.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.831 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -57.67 -53.21 60.77 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.031 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.94 -42.53 99.66 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.994 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.41 -43.25 81.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.84 0.352 . . . . 0.0 111.024 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.587 HD21 ' HG3' ' A' ' 72' ' ' LYS . 24.9 mt -66.96 -37.4 84.2 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 177.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 64' ' ' VAL . 24.9 tp10 -65.79 -39.52 91.03 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.86 -51.03 71.29 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 38.9 pt -67.61 -31.38 52.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -174.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -26.36 34.16 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.585 178.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 60' ' ' GLU . 39.3 t -68.6 -48.0 74.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.605 0.241 . . . . 0.0 110.63 177.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -106.42 -80.32 0.56 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.949 177.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.591 ' HG3' ' HD2' ' A' ' 67' ' ' PRO . 11.6 ttm180 -175.44 141.33 0.64 Allowed Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -176.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.591 ' HD2' ' HG3' ' A' ' 66' ' ' ARG . 50.3 Cg_exo -54.26 115.03 2.09 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.643 2.228 . . . . 0.0 112.278 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.472 ' HD2' ' OE2' ' A' ' 116' ' ' GLU . 6.9 ttmt -139.19 115.6 10.51 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -176.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 67.16 -70.08 0.12 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.658 0.599 . . . . 0.0 111.025 -177.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.7 p -76.1 140.39 17.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.203 0.525 . . . . 0.0 109.82 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -135.07 161.24 35.88 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -178.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.587 ' HG3' HD21 ' A' ' 59' ' ' LEU . 65.2 tttp -59.61 -39.8 85.43 Favored 'General case' 0 CA--C 1.52 -0.2 0 O-C-N 123.203 0.314 . . . . 0.0 110.457 -178.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -51.01 -44.22 60.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.98 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -69.47 -46.21 67.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.693 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 72.5 mt -60.71 -39.98 83.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.227 -177.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -68.31 -42.08 79.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.984 0.421 . . . . 0.0 110.231 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.47 71.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.839 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.47 HG21 ' HB ' ' A' ' 109' ' ' THR . 77.9 t -67.12 -42.25 88.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.349 -177.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.69 ' HG2' ' HB1' ' A' ' 51' ' ' ALA . 14.4 tmtt? -55.77 -41.41 73.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.201 0.524 . . . . 0.0 110.377 179.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.49 -49.8 20.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.833 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -64.59 -31.68 73.0 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.04 -177.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.406 ' O ' HG23 ' A' ' 86' ' ' VAL . 51.3 t80 -65.52 -45.16 84.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.846 0.355 . . . . 0.0 110.58 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.98 -41.48 98.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.077 0.465 . . . . 0.0 110.359 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 24.9 mm-40 -61.44 -47.3 86.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.532 175.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.7 tt -52.64 -49.42 65.2 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 122.9 0.48 . . . . 0.0 110.818 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 82' ' ' PHE . 65.1 t -57.01 -46.98 84.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.019 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.425 ' O ' HG22 ' A' ' 91' ' ' VAL . 52.2 tp -66.83 -45.66 77.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 16.7 mm-40 -69.14 -24.38 64.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.762 -174.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.424 ' HA ' ' HD1' ' A' ' 24' ' ' TYR . 24.7 t -66.47 -21.54 66.19 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.061 0.458 . . . . 0.0 110.134 177.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -102.88 -57.91 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.647 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 87' ' ' LEU . 34.0 m -72.28 -23.78 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -174.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 50.4 m170 60.73 36.48 19.37 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.351 0.407 . . . . 0.0 111.866 175.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.514 ' HB3' ' OE1' ' A' ' 88' ' ' GLN . 68.2 t60 -69.68 -34.74 74.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.675 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.531 HG12 ' HB3' ' A' ' 88' ' ' GLN . 44.2 pt -96.65 159.39 3.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.386 177.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -82.59 168.49 17.28 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.96 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.794 ' HA ' ' HE2' ' A' ' 24' ' ' TYR . 42.7 tttp -68.41 -31.12 70.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.817 -169.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -71.77 -53.83 12.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 -177.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -62.86 -33.91 76.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.065 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -57.36 -41.43 80.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.876 0.37 . . . . 0.0 110.282 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.569 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 25.4 tptp -64.52 -44.24 91.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.457 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -65.48 -37.85 88.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.711 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.58 -43.02 96.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.849 174.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.6 m -58.84 -45.28 90.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.869 174.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' ' 100' ' ' LYS . 33.3 mm-40 -56.0 -48.94 74.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.516 176.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.7 m -57.1 -45.35 83.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.27 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.461 HG13 HG13 ' A' ' 78' ' ' VAL . 97.6 t -66.88 -53.8 30.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.628 179.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.433 HD23 HD12 ' A' ' 110' ' ' LEU . 29.0 mt -60.55 -35.3 75.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.986 -178.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -57.19 -52.11 66.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.931 0.396 . . . . 0.0 110.573 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.47 ' HB ' HG21 ' A' ' 78' ' ' VAL . 41.8 m -66.93 -38.73 86.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.62 HD21 ' SD ' ' A' ' 13' ' ' MET . 89.9 mt -59.9 -40.93 90.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.052 178.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -64.27 -36.3 83.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.506 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.44 -42.27 87.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.532 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 117' ' ' ILE . 60.8 t -71.8 -43.18 69.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.015 0.436 . . . . 0.0 110.303 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -61.13 -40.64 94.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.539 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -70.98 -39.89 72.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.537 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.472 ' OE2' ' HD2' ' A' ' 68' ' ' LYS . 7.9 mm-40 -59.85 -47.17 86.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.779 176.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 113' ' ' VAL . 83.7 mt -59.84 -44.44 94.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.844 0.354 . . . . 0.0 110.543 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.66 -17.02 61.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.106 0.479 . . . . 0.0 110.959 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -83.19 -44.53 14.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.975 177.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 . . . . . 0 C--N 1.327 -0.405 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.048 178.625 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.1 tp . . . . . 0 N--CA 1.468 0.426 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.462 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 32.8 tp -61.68 -31.29 71.41 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -170.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -55.09 -36.38 65.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -65.67 -32.25 73.72 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.317 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.531 ' O ' HG12 ' A' ' 14' ' ' ILE . 17.2 m -73.62 -47.42 40.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.766 175.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 11.4 mm-40 -55.39 -45.3 76.64 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.699 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.511 ' O ' HG23 ' A' ' 16' ' ' VAL . 59.1 tt0 -62.71 -47.66 82.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.393 177.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.8 ttm -60.64 -36.32 78.37 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.531 HG12 ' O ' ' A' ' 10' ' ' THR . 28.6 mm -55.16 -52.16 47.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.795 175.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -67.47 -37.22 82.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.161 -176.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 12' ' ' GLN . 89.4 t -60.88 -42.19 91.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.715 0.293 . . . . 0.0 110.615 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.4 -49.81 67.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.749 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -58.93 -41.04 86.41 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.61 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 36.3 mttp -66.14 -44.74 83.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.04 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.75 -49.96 72.88 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.628 -178.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.463 ' HA ' ' CE2' ' A' ' 99' ' ' PHE . . . -58.2 -44.21 87.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.026 0.441 . . . . 0.0 111.346 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.623 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 4.2 t70 -72.81 -35.9 67.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.461 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -67.58 -36.49 80.99 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.237 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -70.65 -34.49 72.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.346 175.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.623 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 6.5 pt20 . . . . . 0 CA--C 1.532 0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 110.283 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.956 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 3.1 mmpt? . . . . . 0 CA--C 1.537 0.466 0 N-CA-C 111.867 0.321 . . . . 0.0 111.867 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.574 ' HD3' ' HB2' ' A' ' 41' ' ' LYS . 47.0 Cg_exo -56.47 -49.96 13.35 Favored 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 122.134 1.889 . . . . 0.0 113.172 -173.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.99 -35.93 79.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.475 -178.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.3 t -58.96 -54.59 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.219 -175.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.52 -38.12 88.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.619 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.32 -61.34 2.18 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.698 0.761 . . . . 0.0 111.236 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -62.67 -31.11 71.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.22 -1.355 . . . . 0.0 112.195 -172.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.65 -46.13 83.83 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.629 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -73.7 -38.35 64.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.096 0.474 . . . . 0.0 110.531 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.9 tp -58.27 -53.16 61.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.726 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.614 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -65.18 -30.23 71.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.289 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.6 -53.58 45.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.084 0.469 . . . . 0.0 110.473 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -69.21 -30.59 68.8 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.281 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -60.91 -47.61 85.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.152 175.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.46 -46.2 87.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.77 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -59.5 -42.56 92.45 Favored 'General case' 0 N--CA 1.432 -1.37 0 C-N-CA 123.229 0.611 . . . . 0.0 110.977 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.28 -45.19 91.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.239 178.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.87 98.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.871 0.367 . . . . 0.0 110.619 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.681 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 69.1 mt -60.24 -40.47 90.36 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.937 177.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.526 ' HA ' ' HD2' ' A' ' 63' ' ' LYS . 11.0 tp10 -55.71 -44.94 77.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.545 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.99 -40.78 95.48 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -177.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.596 ' HB ' ' HG3' ' A' ' 67' ' ' PRO . 26.4 pt -70.92 -35.39 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -174.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.681 ' HG3' ' O ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -83.19 -20.06 35.36 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 179.109 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 60' ' ' GLU . 54.9 t -78.19 -49.86 20.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.456 174.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.4 mtt-85 -106.89 -99.44 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.727 176.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.415 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 176.47 132.51 0.18 Allowed Pre-proline 0 C--N 1.33 -0.25 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -178.395 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.596 ' HG3' ' HB ' ' A' ' 62' ' ' ILE . 16.6 Cg_exo -65.72 132.36 30.44 Favored 'Trans proline' 0 N--CA 1.473 0.268 0 C-N-CA 122.614 2.209 . . . . 0.0 113.027 -174.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -98.88 -50.88 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.984 0.421 . . . . 0.0 110.805 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.402 ' CB ' ' HB1' ' A' ' 112' ' ' ALA . 74.0 m-85 -101.15 -52.6 3.23 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.358 -178.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 71' ' ' HIS . 8.3 p -74.55 163.9 3.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.652 -174.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.417 ' N ' HG22 ' A' ' 70' ' ' VAL . 11.1 t60 -135.58 144.8 46.38 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 176.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 17.9 ptmt -54.78 -42.5 71.8 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -175.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 72' ' ' LYS . 40.7 tt0 -57.48 -42.21 82.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.023 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.492 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 11.7 mm-40 -65.71 -37.12 85.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.09 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.47 -43.89 98.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.059 0.456 . . . . 0.0 110.491 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.84 -39.26 90.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.689 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.56 -46.62 53.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.615 -178.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.554 HG13 HG13 ' A' ' 106' ' ' VAL . 30.2 t -57.56 -41.76 79.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.614 ' HG3' ' HB1' ' A' ' 51' ' ' ALA . 83.1 tttt -52.94 -50.05 64.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.849 0.357 . . . . 0.0 111.196 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -74.76 -42.18 58.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 -176.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -62.98 -34.35 77.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.074 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.415 ' O ' HG23 ' A' ' 86' ' ' VAL . 74.0 t80 -65.02 -45.46 85.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.352 177.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.0 mt -62.88 -45.39 92.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.784 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.592 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 43.9 tt0 -63.33 -38.28 90.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.193 177.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.836 ' HA ' HE21 ' A' ' 88' ' ' GLN . 7.2 tt -58.54 -54.15 50.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.997 178.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 82' ' ' PHE . 66.4 t -58.91 -40.83 81.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.723 0.296 . . . . 0.0 110.871 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.54 -57.63 12.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.847 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.836 HE21 ' HA ' ' A' ' 85' ' ' LEU . 3.5 pp0? -80.06 -8.55 59.44 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -173.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.0 m -67.34 -26.31 66.43 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.685 0.279 . . . . 0.0 110.525 176.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -80.72 -55.91 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.908 0.385 . . . . 0.0 110.887 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.447 HG23 ' H ' ' A' ' 93' ' ' HIS . 19.1 m -75.22 -15.69 15.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -174.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 43.7 m170 64.78 24.93 12.9 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.74 0.416 . . . . 0.0 110.77 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.447 ' H ' HG23 ' A' ' 91' ' ' VAL . 14.4 t60 -84.53 55.96 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.325 0.583 . . . . 0.0 110.947 -173.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 98' ' ' ARG . 18.7 tt -157.63 146.52 10.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.433 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -88.34 46.03 1.34 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -174.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.436 ' O ' ' HB3' ' A' ' 99' ' ' PHE . 46.5 mttp 69.91 -65.76 0.3 Allowed 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 167.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.556 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 36.1 pttt -56.25 -46.48 79.59 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -170.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.556 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -71.44 -22.81 61.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.934 0.397 . . . . 0.0 110.263 -175.669 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.463 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 86.1 t80 -64.29 -44.63 91.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.834 177.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -67.22 -38.16 84.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.414 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -56.92 -50.64 71.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.559 176.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.43 -51.24 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.556 176.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 45.4 m -56.44 -43.27 79.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.246 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -65.12 -49.78 68.63 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.603 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.7 m -58.39 -37.13 74.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.209 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.554 HG13 HG13 ' A' ' 78' ' ' VAL . 73.9 t -72.2 -52.43 24.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.99 177.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 107' ' ' LEU . 17.8 mt -60.8 -38.13 84.33 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -176.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -58.8 -49.51 77.43 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.895 0.379 . . . . 0.0 110.053 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.41 ' HB ' HG21 ' A' ' 78' ' ' VAL . 28.5 m -64.25 -39.42 93.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.748 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 74.0 mt -61.76 -44.28 97.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.67 177.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -63.07 -35.31 79.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.67 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.402 ' HB1' ' CB ' ' A' ' 69' ' ' TYR . . . -61.46 -49.41 76.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.222 178.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 39.0 t -70.68 -38.57 73.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.527 0.68 . . . . 0.0 110.032 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -57.84 -39.9 78.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.544 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -72.06 -51.2 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.082 -178.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -57.92 -45.68 86.16 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 123.157 0.285 . . . . 0.0 111.759 -177.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.411 ' HB ' HD13 ' A' ' 7' ' ' LEU . 65.4 mt -64.94 -47.05 89.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.808 0.337 . . . . 0.0 111.027 -179.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.95 -28.48 67.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.058 0.456 . . . . 0.0 110.771 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 50.2 ttm-85 -70.3 -30.84 67.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.233 -179.481 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.44 ' HG ' HD13 ' A' ' 117' ' ' ILE . 40.8 tp . . . . . 0 N--CA 1.453 -0.281 0 CA-C-O 120.829 0.347 . . . . 0.0 110.504 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.499 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 3.1 mm? -68.24 -48.86 63.98 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.24 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -48.7 -42.75 35.96 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.785 0.678 . . . . 0.0 112.441 -173.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 60.3 mtm -63.51 -42.69 98.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.366 . . . . 0.0 110.694 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.452 ' O ' HG13 ' A' ' 14' ' ' ILE . 18.0 m -69.15 -47.34 65.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.341 178.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 16.7 mm-40 -52.18 -44.82 64.85 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.173 0.511 . . . . 0.0 110.616 176.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.438 ' O ' HG23 ' A' ' 16' ' ' VAL . 57.1 tp60 -60.39 -49.46 77.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.838 177.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 64.1 mtt -61.1 -38.48 86.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.243 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 10' ' ' THR . 84.3 mt -61.58 -48.89 86.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.825 0.345 . . . . 0.0 110.581 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -61.04 -45.96 92.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.755 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 12' ' ' GLN . 85.5 t -61.65 -48.29 89.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.689 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.22 94.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.131 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -61.19 -51.24 69.83 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.394 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.563 ' HE3' ' N ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -67.78 -29.35 68.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.209 -176.659 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.78 -46.79 71.71 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.955 176.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.45 -38.45 84.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.015 0.436 . . . . 0.0 110.357 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.42 -45.07 92.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.325 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.6 tmt_? -65.84 -35.82 81.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.227 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -68.78 -36.87 78.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.611 177.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 . . . . . 0 C--O 1.234 0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.755 -178.055 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.457 ' HB3' ' CD ' ' A' ' 42' ' ' PRO . 86.7 tttt . . . . . 0 CA--C 1.536 0.423 0 CA-C-O 119.265 -0.398 . . . . 0.0 110.687 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.457 ' CD ' ' HB3' ' A' ' 41' ' ' LYS . 20.7 Cg_endo -60.33 -47.33 14.76 Favored 'Trans proline' 0 C--N 1.361 1.227 0 C-N-CA 121.647 1.564 . . . . 0.0 112.044 -176.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.28 90.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.53 -48.33 85.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.578 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.97 -42.98 99.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.265 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 7.5 mm-40 -58.37 -51.63 68.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.495 177.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -70.46 -25.72 63.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.358 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -65.23 -52.57 53.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.959 0.409 . . . . 0.0 109.961 176.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.7 -34.56 77.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.101 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 10.8 tp -59.09 -49.64 77.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.92 177.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.469 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -62.63 -32.0 72.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.466 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.16 -57.26 9.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.642 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -35.63 81.78 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.9 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -62.29 -49.27 76.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.174 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.31 98.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.741 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.17 -43.82 95.53 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.347 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.49 -37.86 69.15 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.36 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.545 ' HB1' HD13 ' A' ' 75' ' ' ILE . . . -67.96 -45.72 73.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.22 -35.44 77.21 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.842 177.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.5 ' O ' HG23 ' A' ' 64' ' ' VAL . 8.0 tp10 -62.06 -53.67 52.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.944 173.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.6 tp -57.06 -48.67 77.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.66 -174.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.516 HD13 HD12 ' A' ' 75' ' ' ILE . 39.3 pt -68.67 -28.63 40.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -172.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -83.47 -22.31 32.59 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 119.511 -0.876 . . . . 0.0 110.598 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 60' ' ' GLU . 65.0 t -83.23 -43.92 18.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.883 0.373 . . . . 0.0 110.24 177.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.403 ' NH1' ' HA ' ' A' ' 120' ' ' GLU . 7.6 ptm180 -130.87 131.12 44.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.832 176.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -73.82 119.22 75.0 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.355 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -78.69 159.01 28.34 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 123.307 2.671 . . . . 0.0 112.917 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -102.97 -30.58 10.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.185 -176.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -107.23 -57.11 2.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.047 0.451 . . . . 0.0 110.658 -176.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.8 p -75.99 154.21 6.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.5 -176.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -133.57 155.29 49.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.012 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -56.49 -43.05 79.29 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.716 0.635 . . . . 0.0 110.61 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -60.24 -37.38 80.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.952 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -69.13 -45.16 70.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.765 -176.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.545 HD13 ' HB1' ' A' ' 58' ' ' ALA . 73.3 mt -57.72 -41.61 79.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.588 -174.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -71.13 -38.49 72.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.163 0.506 . . . . 0.0 110.35 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.4 -44.42 78.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.826 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.402 HG21 HG21 ' A' ' 109' ' ' THR . 76.7 t -65.5 -39.89 86.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.234 -178.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.469 ' HG3' ' HB1' ' A' ' 51' ' ' ALA . 75.7 tttt -54.37 -43.75 71.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.187 0.518 . . . . 0.0 111.01 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -77.31 -51.49 10.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.135 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -62.23 -25.6 67.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.06 -176.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.477 ' O ' HG23 ' A' ' 86' ' ' VAL . 77.2 t80 -65.08 -49.12 71.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.882 0.373 . . . . 0.0 110.074 176.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 48.3 mt -64.78 -39.6 93.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.393 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.34 -46.72 87.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.478 175.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.41 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 5.4 tt -59.1 -46.14 89.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.545 -178.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 82' ' ' PHE . 84.1 t -56.53 -49.48 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.713 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.0 tp -63.07 -46.62 86.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.256 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.416 HE21 ' HB3' ' A' ' 88' ' ' GLN . 2.4 pt20 -74.36 -16.33 60.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.589 -175.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.6 t -72.34 -32.17 66.26 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.913 0.387 . . . . 0.0 110.611 178.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -78.28 -57.8 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.143 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.5 m -87.79 -12.05 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -172.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 66.0 m170 61.6 38.78 15.2 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.954 0.407 . . . . 0.0 111.039 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -87.2 64.24 8.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.215 0.531 . . . . 0.0 110.058 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.0 tt -178.6 162.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.238 -0.892 . . . . 0.0 108.736 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -98.14 162.62 13.11 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.804 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -56.24 -56.89 15.45 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.205 0.816 . . . . 0.0 113.205 -168.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -64.46 -33.74 76.58 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.697 0.284 . . . . 0.0 111.568 -171.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -76.39 -39.12 54.54 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -60.68 -44.84 96.02 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.964 0.411 . . . . 0.0 109.906 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.417 ' HD2' ' O ' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -60.97 -43.06 99.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.844 178.723 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.48 -51.57 69.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.006 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.441 ' O ' HG23 ' A' ' 106' ' ' VAL . 79.7 mt -60.83 -49.12 85.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.732 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.6 m -56.4 -46.85 79.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.04 -48.63 80.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.695 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.3 t -56.32 -45.34 80.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.897 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.446 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 94.9 t -64.24 -54.01 36.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.34 -42.68 92.07 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.552 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -60.02 -46.72 88.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 0.0 110.2 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 113' ' ' VAL . 41.6 m -65.03 -40.85 95.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.763 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 89.3 mt -60.41 -41.57 94.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.617 0.246 . . . . 0.0 110.671 177.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -61.7 -39.2 90.64 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.262 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.22 -46.46 73.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.352 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 117' ' ' ILE . 61.9 t -68.45 -43.78 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.181 0.515 . . . . 0.0 109.92 -176.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -55.23 -45.69 75.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.313 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -64.08 -52.87 57.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.463 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.442 ' HA ' ' HB3' ' A' ' 119' ' ' ARG . 26.3 mt-10 -67.17 -33.96 76.51 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -172.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 113' ' ' VAL . 68.5 mt -61.44 -42.25 93.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.069 175.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -81.25 -20.94 39.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.192 0.52 . . . . 0.0 110.651 178.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.442 ' HB3' ' HA ' ' A' ' 116' ' ' GLU . 18.3 ttm180 -90.48 5.22 48.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.921 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.403 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 9.9 pt-20 . . . . . 0 C--O 1.235 0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.498 173.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.0 tp . . . . . 0 C--O 1.234 0.278 0 CA-C-O 120.866 0.365 . . . . 0.0 110.821 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.8 tp -64.67 -44.51 90.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.751 -177.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.444 ' HA ' ' HB2' ' A' ' 11' ' ' GLU . 38.1 mt-10 -63.7 -34.59 78.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.49 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 52.5 ttp -62.0 -43.59 98.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.472 ' O ' HG13 ' A' ' 14' ' ' ILE . 23.9 m -69.8 -42.84 73.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.225 176.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.444 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 34.6 mm-40 -53.25 -41.27 65.31 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.455 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -63.17 -49.53 73.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.767 178.58 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 89.5 mtp -59.81 -41.48 91.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.215 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 10' ' ' THR . 74.5 mt -64.55 -48.96 82.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.838 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.61 -42.13 91.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.165 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 12' ' ' GLN . 88.1 t -61.54 -43.96 97.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 120.817 0.342 . . . . 0.0 110.58 178.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.401 ' HB3' HD21 ' A' ' 107' ' ' LEU . . . -65.5 -40.69 93.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 48.6 mt-10 -62.05 -45.5 93.25 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.971 0.415 . . . . 0.0 110.691 177.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -64.25 -43.9 93.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.833 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.32 -49.03 83.02 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.109 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.625 ' HB2' HG21 ' A' ' 103' ' ' THR . . . -59.94 -47.72 84.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.406 . . . . 0.0 110.76 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.93 -44.57 97.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.31 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.424 ' HA ' ' HD2' ' A' ' 23' ' ' ARG . 10.6 tpt85 -66.69 -39.54 88.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.234 0.54 . . . . 0.0 110.253 -177.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.622 ' HE1' ' HA ' ' A' ' 96' ' ' LYS . 21.6 t80 -68.0 -36.39 79.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.245 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.188 -178.04 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.555 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 57.7 tptt . . . . . 0 CA--C 1.54 0.58 0 CA-C-O 119.486 -0.292 . . . . 0.0 111.181 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.555 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 46.4 Cg_endo -67.1 -45.41 3.97 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 121.721 1.614 . . . . 0.0 112.806 -173.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.17 90.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.2 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.89 -47.98 81.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.852 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 49.1 mt-10 -56.71 -46.66 81.14 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.824 0.345 . . . . 0.0 111.228 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 7.3 mm-40 -61.63 -52.93 62.33 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.058 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -76.28 -25.98 55.45 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -172.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.58 ' HA ' HD21 ' A' ' 83' ' ' LEU . 36.6 t70 -61.95 -50.45 72.07 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 175.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -47.65 83.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.919 172.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 6.5 tp -55.2 -52.18 64.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.54 -176.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.57 -40.09 94.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.519 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.95 -43.91 86.58 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.162 0.506 . . . . 0.0 110.752 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 53' ' ' ARG . 4.2 ttt85 -65.89 -41.97 90.88 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.466 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -61.1 -48.59 80.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.484 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.8 -45.91 85.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -59.48 -46.88 87.52 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.544 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.04 -40.83 83.36 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.376 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.34 96.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.647 0.261 . . . . 0.0 111.047 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 59' ' ' LEU . 30.4 mt -60.78 -38.01 83.84 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.993 177.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -68.92 -40.97 78.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.051 0.453 . . . . 0.0 109.832 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.85 -50.9 71.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.413 -178.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 34.8 pt -72.52 -18.05 18.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.949 0.404 . . . . 0.0 111.432 -177.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -81.96 -50.43 9.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.933 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.9 t -83.55 -37.25 13.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.573 -174.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.455 ' HE ' ' CD ' ' A' ' 120' ' ' GLU . 30.0 tpt180 -100.53 -99.83 0.25 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.171 -176.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -155.34 134.62 7.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 -172.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -92.32 104.02 0.2 Allowed 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.799 2.333 . . . . 0.0 110.565 168.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.643 ' HE3' ' OE1' ' A' ' 116' ' ' GLU . 8.3 mtmt -93.8 -58.12 2.35 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.473 -174.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.487 ' CB ' ' HB1' ' A' ' 112' ' ' ALA . 71.2 m-85 -105.36 -54.0 2.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.281 0.562 . . . . 0.0 109.745 178.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.8 p -74.03 154.09 6.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.918 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -123.99 164.91 18.39 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -57.3 -38.92 74.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.373 . . . . 0.0 110.27 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -59.5 -44.62 93.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.644 177.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 78' ' ' VAL . 14.9 mm100 -66.93 -37.07 83.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.838 -175.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.3 mm -58.25 -45.01 89.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.919 0.39 . . . . 0.0 110.971 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -72.27 -29.78 64.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.453 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.01 -47.79 60.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.702 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.537 HG13 HG13 ' A' ' 106' ' ' VAL . 98.4 t -61.47 -41.56 90.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.683 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.7 tttm -52.8 -54.27 36.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.799 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.59 -38.47 54.79 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.436 -175.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -66.51 -33.92 76.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.253 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -64.23 -36.68 84.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.914 0.387 . . . . 0.0 110.516 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.58 HD21 ' HA ' ' A' ' 48' ' ' ASP . 58.8 mt -65.23 -48.87 71.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.204 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 46.2 mt-10 -61.17 -40.68 94.79 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.211 177.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.548 HD11 HG23 ' A' ' 103' ' ' THR . 6.7 tt -52.56 -53.45 46.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.702 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 68.3 t -60.23 -46.08 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.011 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.2 tp -63.73 -52.08 62.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.686 -176.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 4.6 pt20 -71.75 -18.81 62.11 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.466 -174.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.8 t -66.13 -40.81 90.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.319 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -80.31 -49.73 11.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.448 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.426 HG22 ' HA ' ' A' ' 88' ' ' GLN . 31.6 m -73.93 -21.53 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.332 -0.395 . . . . 0.0 112.035 -174.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 38.0 m80 56.46 56.12 5.94 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.319 0.58 . . . . 0.0 110.188 -178.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -74.03 -11.98 60.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.679 -175.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.691 HD12 ' HB2' ' A' ' 98' ' ' ARG . 10.6 pt -132.52 -178.36 2.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.333 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -80.64 -70.38 0.53 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.702 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.622 ' HA ' ' HE1' ' A' ' 24' ' ' TYR . 38.4 ttmt -162.6 -60.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -173.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -52.74 -47.6 67.3 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -169.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.691 ' HB2' HD12 ' A' ' 94' ' ' ILE . 42.5 mtp180 -60.79 -40.41 92.55 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.952 -175.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.525 ' HB2' HD11 ' A' ' 94' ' ' ILE . 85.6 t80 -69.33 -44.52 71.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.067 0.461 . . . . 0.0 110.245 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -58.45 -47.93 82.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.485 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -58.95 -52.47 65.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.92 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 106' ' ' VAL . 82.8 mt -57.83 -51.57 68.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.993 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.625 HG21 ' HB2' ' A' ' 21' ' ' ALA . 27.1 m -60.6 -42.09 96.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.961 0.41 . . . . 0.0 111.186 -176.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -66.61 -43.26 85.25 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.305 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.1 m -60.76 -38.65 85.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.742 177.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.537 HG13 HG13 ' A' ' 78' ' ' VAL . 88.1 t -66.65 -51.17 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.831 176.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.401 HD21 ' HB3' ' A' ' 17' ' ' ALA . 67.3 mt -57.01 -45.12 83.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.765 0.317 . . . . 0.0 111.178 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -55.37 -43.52 75.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.592 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 113' ' ' VAL . 25.1 m -74.36 -35.31 63.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.171 -178.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 83.3 mt -63.49 -42.19 98.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.793 0.33 . . . . 0.0 110.882 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -67.9 -30.38 69.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.404 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.487 ' HB1' ' CB ' ' A' ' 69' ' ' TYR . . . -62.53 -49.03 76.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.456 177.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 117' ' ' ILE . 47.5 t -63.5 -47.37 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.117 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -56.72 -47.15 80.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.488 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.01 -46.77 88.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.257 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.643 ' OE1' ' HE3' ' A' ' 68' ' ' LYS . 13.6 pt-20 -72.3 -25.99 61.79 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -176.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 113' ' ' VAL . 85.0 mt -67.24 -53.06 36.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.963 0.411 . . . . 0.0 110.298 172.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.27 -31.34 72.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.323 0.582 . . . . 0.0 110.679 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 52.1 ttm-85 -63.21 -33.69 76.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.307 177.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.455 ' CD ' ' HE ' ' A' ' 65' ' ' ARG . 3.4 tp10 . . . . . 0 C--N 1.324 -0.519 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.359 178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.9 tp . . . . . 0 C--O 1.232 0.174 0 N-CA-C 109.187 -0.672 . . . . 0.0 109.187 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.523 HD11 ' HG3' ' A' ' 114' ' ' LYS . 58.9 tp -62.79 -36.51 83.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.731 -178.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.52 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 26.0 mp0 -60.9 -31.35 70.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.82 -177.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.475 ' CE ' ' HA ' ' A' ' 54' ' ' TRP . 52.2 ttp -68.34 -42.19 79.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.036 0.446 . . . . 0.0 110.049 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.492 ' O ' HG13 ' A' ' 14' ' ' ILE . 52.2 m -65.64 -43.78 88.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.052 175.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -63.58 -35.6 81.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.012 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -61.28 -45.28 95.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.461 175.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.559 ' SD ' HD21 ' A' ' 110' ' ' LEU . 49.4 ttm -64.6 -38.02 89.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.374 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 10' ' ' THR . 76.7 mt -57.86 -51.11 74.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 121.184 0.516 . . . . 0.0 110.41 176.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.35 -51.15 71.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.634 -178.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.9 t -60.69 -43.89 95.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.67 0.272 . . . . 0.0 110.907 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.82 -45.87 80.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.749 0.309 . . . . 0.0 111.063 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -69.44 -36.18 76.38 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.413 ' HA ' ' HB3' ' A' ' 22' ' ' ASP . 37.3 mttp -79.11 -26.43 42.92 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.577 178.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.19 -43.43 93.1 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 171.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -66.53 -38.01 86.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.521 -0.339 . . . . 0.0 110.538 174.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.413 ' HB3' ' HA ' ' A' ' 19' ' ' LYS . 20.3 t70 -59.59 -43.27 93.72 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.774 177.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -58.1 -47.0 84.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.899 175.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -58.24 -40.13 80.92 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.904 176.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 74.7 mt-30 . . . . . 0 C--N 1.327 -0.39 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.191 -179.003 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.509 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 27.5 tptp . . . . . 0 CA--C 1.535 0.37 0 CA-C-O 119.515 -0.278 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.509 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 30.2 Cg_endo -63.48 -41.4 26.12 Favored 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 121.836 1.69 . . . . 0.0 111.795 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.12 -37.27 69.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.859 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.0 t -59.54 -40.52 82.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.787 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 73.0 mm-40 -56.07 -44.51 79.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.317 0.58 . . . . 0.0 110.807 177.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -70.25 -46.64 64.02 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.164 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -54.88 -49.39 71.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.536 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -56.5 -53.98 51.15 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.543 0.527 . . . . 0.0 110.865 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.31 -41.21 88.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.243 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 tp -61.5 -52.95 62.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.627 -178.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.63 -42.14 99.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.767 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.37 -46.03 81.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.903 0.382 . . . . 0.0 111.211 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -36.36 78.48 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.725 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.475 ' HA ' ' CE ' ' A' ' 9' ' ' MET . 69.7 t90 -61.93 -43.05 99.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.406 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.93 -45.45 82.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.523 177.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -58.24 -48.12 81.41 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.236 177.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.24 -43.91 98.78 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.682 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.79 -44.6 80.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.969 0.414 . . . . 0.0 110.982 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 61.4 mt -63.2 -35.03 78.95 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.059 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.64 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 8.5 tp10 -55.19 -51.14 67.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.871 176.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.06 -39.77 94.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.881 -176.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.481 HG22 ' CG ' ' A' ' 67' ' ' PRO . 23.0 pt -72.77 -26.71 23.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -174.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.64 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 5.6 ptmm? -81.39 -28.89 34.16 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.922 0.391 . . . . 0.0 110.421 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 60' ' ' GLU . 95.6 t -82.22 -40.51 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.288 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -149.72 -175.16 4.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.768 0.318 . . . . 0.0 111.304 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.46 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -96.89 120.62 61.28 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.442 -178.141 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.481 ' CG ' HG22 ' A' ' 62' ' ' ILE . 2.0 Cg_endo -82.14 162.17 17.86 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.124 2.549 . . . . 0.0 111.077 173.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.541 ' HB2' ' NZ ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -105.63 -48.8 3.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.673 0.273 . . . . 0.0 111.334 -176.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -92.98 -53.11 4.28 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -174.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.98 149.24 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.984 0.421 . . . . 0.0 111.636 -171.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -131.89 155.41 47.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.149 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -60.47 -44.06 96.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.731 -176.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -56.14 -35.09 66.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.042 0.448 . . . . 0.0 111.124 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.536 ' O ' HG23 ' A' ' 78' ' ' VAL . 13.8 mm-40 -70.15 -46.36 64.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.192 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.0 mt -58.17 -41.28 80.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.599 -177.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -73.02 -26.65 61.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.035 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.48 -42.04 26.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.154 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 74' ' ' GLN . 82.0 t -54.79 -38.34 43.7 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.178 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.86 -176.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -56.75 -51.52 68.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.893 0.378 . . . . 0.0 111.273 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -76.2 -43.01 44.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.361 -176.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.523 ' HB3' HG23 ' A' ' 102' ' ' ILE . 5.7 m-20 -58.78 -37.27 75.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.22 178.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -62.91 -47.53 82.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.807 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.73 -44.53 96.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 15.3 mm-40 -63.77 -45.41 89.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.849 176.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 89' ' ' SER . 6.4 tt -52.92 -52.64 57.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.471 -178.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.2 t -62.3 -46.7 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.912 0.387 . . . . 0.0 110.847 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.497 ' O ' HG22 ' A' ' 91' ' ' VAL . 59.6 tp -59.51 -54.07 50.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.341 -177.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.603 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 26.7 pt20 -83.22 1.01 42.87 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -174.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 85' ' ' LEU . 21.9 t -69.74 -27.34 64.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 175.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -104.61 -50.92 3.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.278 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 87' ' ' LEU . 29.6 m -77.69 -33.75 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -176.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 57.27 89.93 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -113.47 30.5 7.17 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.982 0.42 . . . . 0.0 111.509 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.435 HD11 ' HB2' ' A' ' 99' ' ' PHE . 18.0 pt -136.21 -177.92 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.708 176.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -93.65 -76.55 0.47 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.055 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -148.97 -66.63 0.23 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -177.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -51.34 -45.37 62.29 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -170.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.57 -27.25 68.82 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -172.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.435 ' HB2' HD11 ' A' ' 94' ' ' ILE . 48.9 t80 -69.6 -44.23 71.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.154 0.502 . . . . 0.0 109.814 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -71.5 -39.83 70.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.278 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.68 -51.38 67.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.106 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.523 HG23 ' HB3' ' A' ' 81' ' ' ASN . 62.9 mt -58.29 -47.24 88.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.781 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 58.0 m -57.66 -46.15 84.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 0.0 110.734 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -62.73 -51.44 67.15 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.03 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.4 t -58.87 -39.49 81.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -176.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.531 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 92.4 t -68.56 -53.95 24.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.85 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.404 HD13 HD12 ' A' ' 110' ' ' LEU . 4.4 mm? -60.41 -38.17 83.2 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.56 0.208 . . . . 0.0 111.56 -178.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -60.76 -43.58 97.83 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.485 ' O ' HG23 ' A' ' 113' ' ' VAL . 38.5 m -67.43 -39.49 85.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.542 176.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.559 HD21 ' SD ' ' A' ' 13' ' ' MET . 97.0 mt -61.79 -44.1 97.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.032 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -62.17 -38.45 89.12 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.414 0.625 . . . . 0.0 109.686 176.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.548 ' O ' ' HG2' ' A' ' 116' ' ' GLU . . . -63.19 -44.96 93.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.056 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 109' ' ' THR . 95.5 t -72.64 -32.76 42.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.19 -177.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.523 ' HG3' HD11 ' A' ' 7' ' ' LEU . 60.3 tttt -55.36 -46.74 76.45 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.457 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.84 -45.68 85.08 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.99 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 112' ' ' ALA . 64.0 mm-40 -56.66 -48.19 78.14 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 123.394 0.434 . . . . 0.0 110.848 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.465 HG21 ' HB2' ' A' ' 7' ' ' LEU . 76.2 mt -61.43 -45.7 98.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.765 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.37 -16.43 61.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.406 ' HA ' ' HD2' ' A' ' 119' ' ' ARG . 21.0 tpt180 -88.24 -20.01 26.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.565 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.963 173.941 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.474 ' HG ' HD13 ' A' ' 117' ' ' ILE . 51.2 tp . . . . . 0 CA--C 1.528 0.125 0 N-CA-C 111.908 0.336 . . . . 0.0 111.908 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.1 tp -69.23 -53.27 20.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.989 -177.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -64.37 -38.43 91.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.455 -176.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 44.8 ttp -61.22 -38.51 86.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.962 0.41 . . . . 0.0 110.081 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.557 ' O ' HG13 ' A' ' 14' ' ' ILE . 37.1 m -69.78 -49.5 52.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.317 176.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.26 -45.39 68.78 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.435 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.432 ' O ' HG23 ' A' ' 16' ' ' VAL . 57.0 tp60 -58.57 -48.51 80.66 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.28 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 50.3 ttm -62.97 -39.21 94.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.95 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.912 HG12 ' HB3' ' A' ' 110' ' ' LEU . 63.6 mt -65.66 -48.5 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.955 0.407 . . . . 0.0 110.215 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.483 ' HG2' ' HD2' ' A' ' 19' ' ' LYS . 41.4 tt0 -66.74 -37.06 83.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.722 -177.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 12' ' ' GLN . 53.5 t -64.5 -34.48 69.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.87 0.367 . . . . 0.0 110.609 176.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.63 -46.47 38.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.046 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -67.02 -41.17 87.07 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.701 0.286 . . . . 0.0 111.092 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.483 ' HD2' ' HG2' ' A' ' 15' ' ' GLU . 56.1 mttm -74.65 -18.13 60.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.322 174.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.31 -47.95 55.05 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.062 -0.59 . . . . 0.0 111.751 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.422 ' HA ' ' HE2' ' A' ' 99' ' ' PHE . . . -62.83 -40.0 96.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.288 0.566 . . . . 0.0 110.176 176.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.08 -46.24 89.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.82 176.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -69.82 -29.58 66.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.779 -178.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -65.99 -34.75 78.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.966 0.412 . . . . 0.0 110.362 175.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 . . . . . 0 C--N 1.328 -0.341 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.548 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.592 ' HB2' ' HD3' ' A' ' 42' ' ' PRO . 9.7 mtpm? . . . . . 0 CA--C 1.537 0.47 0 CA-C-O 119.509 -0.281 . . . . 0.0 110.969 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.592 ' HD3' ' HB2' ' A' ' 41' ' ' LYS . 12.8 Cg_exo -69.65 -46.45 1.27 Allowed 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 121.905 1.737 . . . . 0.0 112.213 -175.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.82 -39.15 80.33 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.14 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.3 t -63.96 -45.65 96.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.723 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 43.2 mt-10 -64.58 -47.86 77.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.391 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -61.49 -49.46 76.66 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.93 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -63.03 -37.94 89.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.812 -177.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.595 ' HA ' HD21 ' A' ' 83' ' ' LEU . 24.3 t70 -62.33 -50.67 70.7 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.111 176.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -53.66 -49.3 68.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.679 173.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.5 tp -57.79 -49.57 76.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.621 -177.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.49 -44.45 95.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.454 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.56 -40.82 84.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.882 0.373 . . . . 0.0 111.27 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -74.09 -37.38 64.2 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.271 -177.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -63.3 -45.53 90.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.076 0.465 . . . . 0.0 110.162 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.477 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -59.34 -48.88 79.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.816 178.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -57.45 -46.51 83.52 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.93 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.16 -41.08 98.52 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.345 179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.447 ' HB1' HD13 ' A' ' 75' ' ' ILE . . . -65.14 -34.43 78.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 178.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 83.6 mt -63.69 -38.91 92.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 177.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -61.42 -44.62 96.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.783 176.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.86 -50.54 73.01 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.075 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.77 HG22 ' HG3' ' A' ' 67' ' ' PRO . 37.9 pt -69.85 -18.43 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 111.835 -176.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -83.13 -28.06 29.69 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.999 0.428 . . . . 0.0 110.564 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.522 HG12 ' HG3' ' A' ' 65' ' ' ARG . 71.1 t -92.4 -50.29 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.092 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.522 ' HG3' HG12 ' A' ' 64' ' ' VAL . 52.3 mtp85 -124.58 -174.59 3.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.556 -174.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.464 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 79.9 mtt180 -109.53 137.06 20.23 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 120.688 0.28 . . . . 0.0 111.295 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.77 ' HG3' HG22 ' A' ' 62' ' ' ILE . 2.9 Cg_exo -75.59 168.32 24.65 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.771 2.314 . . . . 0.0 111.236 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -112.18 -35.14 5.72 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.57 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -126.34 -60.75 1.25 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.506 -177.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 p -54.98 144.71 5.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-O 121.367 0.603 . . . . 0.0 112.198 -178.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -113.79 148.24 36.92 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.673 ' HE2' HD12 ' A' ' 62' ' ' ILE . 16.4 ptpt -62.84 -39.0 93.01 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -170.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -67.62 -29.95 69.4 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.227 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.531 ' O ' HG23 ' A' ' 78' ' ' VAL . 15.2 mm-40 -61.77 -36.12 80.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.206 177.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.447 HD13 ' HB1' ' A' ' 58' ' ' ALA . 68.4 mt -63.61 -41.44 92.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.781 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.99 -34.74 75.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.34 178.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.46 -43.86 84.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.635 178.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 74' ' ' GLN . 79.8 t -56.46 -43.53 78.1 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.067 179.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -55.81 -48.96 74.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.701 0.286 . . . . 0.0 111.404 -178.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -71.9 -42.02 67.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.981 0.419 . . . . 0.0 110.665 -178.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -68.99 -33.73 74.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.889 -177.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -65.85 -39.85 91.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.089 0.471 . . . . 0.0 110.234 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.595 HD21 ' HA ' ' A' ' 48' ' ' ASP . 91.3 mt -67.17 -36.23 81.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.464 177.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 22.5 tt0 -73.96 -32.58 63.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.348 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.5 tt -55.8 -51.27 68.04 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.903 175.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.0 t -60.61 -41.82 89.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.3 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.608 ' O ' HG22 ' A' ' 91' ' ' VAL . 49.6 tp -58.61 -59.32 5.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.099 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.531 ' HB3' ' HB ' ' A' ' 94' ' ' ILE . 96.6 mt-30 -52.06 -43.11 63.65 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.486 0.491 . . . . 0.0 111.333 -176.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.7 m -58.82 -55.73 31.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.625 -176.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -80.3 -33.94 37.23 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -170.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.608 HG22 ' O ' ' A' ' 87' ' ' LEU . 14.7 m -88.27 -6.83 10.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.882 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 39.4 m80 58.7 30.69 20.29 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.589 176.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -83.16 -7.2 59.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.337 0.589 . . . . 0.0 110.293 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.858 HD11 ' HB2' ' A' ' 98' ' ' ARG . 10.5 tp -96.93 144.76 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.381 175.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -82.64 -71.98 0.47 Allowed 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.526 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.596 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -150.67 -75.73 0.15 Allowed 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -177.309 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -58.13 -55.83 29.94 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -169.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.858 ' HB2' HD11 ' A' ' 94' ' ' ILE . 69.1 mtt180 -53.19 -39.76 63.89 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -168.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.702 ' HB2' HG12 ' A' ' 94' ' ' ILE . 71.0 t80 -58.87 -53.71 55.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.796 0.331 . . . . 0.0 111.354 -177.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -67.18 -35.15 79.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.375 -175.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -67.55 -46.92 71.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.712 0.292 . . . . 0.0 110.663 177.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.418 ' O ' HG23 ' A' ' 106' ' ' VAL . 79.7 mt -57.28 -46.84 85.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.129 175.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.439 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 38.3 m -55.84 -49.6 72.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 176.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -62.42 -37.87 87.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.032 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.2 t -63.83 -38.89 92.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.947 0.403 . . . . 0.0 110.17 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 102' ' ' ILE . 94.6 t -71.9 -44.31 67.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.128 176.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 103' ' ' THR . 90.9 mt -59.21 -39.15 81.76 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.481 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -55.22 -46.06 75.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.119 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.514 ' O ' HG23 ' A' ' 113' ' ' VAL . 24.3 m -69.55 -43.49 72.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.83 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.912 ' HB3' HG12 ' A' ' 14' ' ' ILE . 90.6 mt -60.88 -43.15 98.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.694 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -70.75 -28.14 64.47 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.023 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.44 -49.45 66.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 174.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 109' ' ' THR . 52.9 t -62.24 -43.55 98.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.177 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -57.3 -43.97 83.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.076 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -60.29 -48.6 81.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.696 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.13 -42.37 99.17 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.398 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 113' ' ' VAL . 78.6 mt -61.87 -48.28 89.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 120.806 0.336 . . . . 0.0 110.752 177.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -63.97 -31.38 72.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.225 0.536 . . . . 0.0 110.371 178.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 119' ' ' ARG . 0.0 OUTLIER -67.95 -50.07 58.07 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.383 175.622 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.448 ' OE1' ' HA ' ' A' ' 120' ' ' GLU . 4.9 mm-40 . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.6 tp . . . . . 0 C--O 1.234 0.272 0 CA-C-O 121.243 0.544 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.6 tp -68.99 -40.96 78.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.257 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -55.38 -44.76 76.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.189 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 71.6 mtm -63.11 -40.49 97.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.713 0.292 . . . . 0.0 110.603 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.444 ' O ' HG13 ' A' ' 14' ' ' ILE . 20.2 m -65.06 -48.84 72.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.993 0.425 . . . . 0.0 110.08 177.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -55.6 -44.98 77.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.734 177.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.453 ' O ' HG23 ' A' ' 16' ' ' VAL . 63.3 tt0 -64.78 -42.83 94.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.099 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 56.3 mtt -60.1 -40.56 90.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.044 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 10' ' ' THR . 69.0 mt -60.0 -46.35 94.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.022 0.439 . . . . 0.0 110.207 176.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -65.26 -41.36 94.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.099 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 12' ' ' GLN . 55.0 t -58.98 -43.18 88.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.793 0.33 . . . . 0.0 110.506 178.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.96 -48.53 79.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.785 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -62.06 -42.71 99.47 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.823 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -64.43 -45.72 86.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.703 0.287 . . . . 0.0 110.661 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.92 -37.46 94.96 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.496 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.56 ' HA ' ' CZ ' ' A' ' 99' ' ' PHE . . . -60.87 -47.32 86.94 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.078 0.466 . . . . 0.0 111.046 178.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -70.7 -40.9 72.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.317 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -60.32 -43.06 96.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.975 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.433 ' HE1' ' CD2' ' A' ' 92' ' ' HIS . 88.2 t80 -63.11 -34.64 78.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.495 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.327 -0.391 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.615 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.539 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 64.1 tttp . . . . . 0 CA--C 1.544 0.712 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.539 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 58.7 Cg_endo -71.41 -17.8 30.23 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.798 1.666 . . . . 0.0 112.816 -174.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.51 -34.81 74.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.56 -53.3 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.59 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -56.21 -43.63 78.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.637 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -60.81 -58.99 6.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.494 0.664 . . . . 0.0 110.98 -179.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -67.73 -25.55 65.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.789 -175.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -65.85 -48.6 71.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 173.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -57.15 -48.16 79.4 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.516 174.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.08 -49.41 78.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.079 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.88 94.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.713 0.292 . . . . 0.0 111.455 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 56' ' ' GLU . . . -62.22 -51.45 67.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.561 178.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.558 HH21 ' CD ' ' A' ' 56' ' ' GLU . 2.2 mmp_? -63.18 -38.78 92.5 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.562 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 46.5 t90 -66.2 -44.43 83.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.248 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.46 95.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.359 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.558 ' CD ' HH21 ' A' ' 53' ' ' ARG . 49.0 mt-10 -60.54 -43.07 97.58 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.175 178.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.91 -44.39 55.8 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.608 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.426 ' O ' HG12 ' A' ' 62' ' ' ILE . . . -61.22 -47.04 87.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.795 0.331 . . . . 0.0 110.464 179.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.821 HD23 HD11 ' A' ' 62' ' ' ILE . 28.4 mt -61.27 -34.45 75.21 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.387 179.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -59.43 -53.64 55.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.008 0.432 . . . . 0.0 110.589 176.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.2 mp -68.28 -37.32 80.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.18 -175.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.821 HD11 HD23 ' A' ' 59' ' ' LEU . 34.9 pt -81.63 -13.25 12.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.607 -176.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -81.83 -39.18 24.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.988 0.423 . . . . 0.0 110.013 174.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.4 t -75.62 -40.5 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.446 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.7 mtp-105 -102.58 -163.09 0.97 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.583 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.414 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -121.2 125.99 26.74 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.514 170.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.731 ' HG3' ' HB ' ' A' ' 62' ' ' ILE . 36.1 Cg_exo -59.44 111.86 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.872 2.381 . . . . 0.0 111.744 179.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.499 ' HB2' ' NZ ' ' A' ' 68' ' ' LYS . 4.7 ttmp? -70.54 -72.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.171 -175.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.505 ' HB2' ' HB1' ' A' ' 112' ' ' ALA . 9.4 m-85 -86.42 -61.08 1.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.277 0.56 . . . . 0.0 110.56 -178.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.422 ' CG2' HG23 ' A' ' 109' ' ' THR . 8.0 p -65.83 143.41 15.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.679 -173.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -95.34 145.42 25.12 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 175.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.403 ' HD2' ' C ' ' A' ' 72' ' ' LYS . 0.5 OUTLIER -60.61 -39.28 87.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.255 0.55 . . . . 0.0 109.92 -177.629 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -62.13 -29.38 70.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.042 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.528 ' O ' HG23 ' A' ' 78' ' ' VAL . 52.1 mt-30 -68.11 -43.89 77.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.634 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 71.3 mt -58.35 -40.55 78.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.02 -37.39 84.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.071 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.21 -35.29 61.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.998 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 74' ' ' GLN . 75.5 t -58.87 -36.32 60.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -53.19 -51.6 61.54 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.98 0.419 . . . . 0.0 110.876 178.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -74.92 -43.88 51.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.65 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.27 -31.37 71.19 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.222 0.326 . . . . 0.0 111.668 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -66.43 -49.8 65.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.204 0.526 . . . . 0.0 110.229 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 97.0 mt -66.7 -34.81 78.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.28 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.591 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 9.9 tp10 -60.71 -45.94 92.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.028 175.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.3 tt -52.51 -45.35 66.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.916 0.388 . . . . 0.0 110.013 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 47.4 t -65.87 -44.99 92.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.806 176.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.425 ' O ' HG22 ' A' ' 91' ' ' VAL . 59.2 tp -64.28 -53.67 45.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.188 -176.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.591 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 1.2 pp0? -69.58 -9.48 54.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.707 0.289 . . . . 0.0 111.489 -177.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.9 t -72.73 -21.96 60.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.535 0.684 . . . . 0.0 109.215 175.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -104.52 -53.94 2.61 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.056 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 87' ' ' LEU . 27.1 m -74.28 -21.16 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -176.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.433 ' CD2' ' HE1' ' A' ' 24' ' ' TYR . 49.1 m170 60.8 32.44 20.14 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 172.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.25 58.41 4.46 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.633 0.73 . . . . 0.0 111.255 -179.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.821 HG22 ' HD3' ' A' ' 98' ' ' ARG . 39.0 pt -140.68 -178.67 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.048 -178.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -131.97 69.7 1.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.658 0.266 . . . . 0.0 110.88 175.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.1 tptm 61.45 -76.53 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.988 0.915 . . . . 0.0 112.815 176.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -61.77 -29.08 69.9 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 122.685 0.394 . . . . 0.0 111.234 -172.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.821 ' HD3' HG22 ' A' ' 94' ' ' ILE . 64.9 ttt180 -60.31 -30.89 69.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.279 -177.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.56 ' CZ ' ' HA ' ' A' ' 21' ' ' ALA . 77.8 t80 -64.09 -48.42 76.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.943 0.402 . . . . 0.0 110.505 -179.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -66.73 -34.63 78.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.513 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -59.45 -50.83 72.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.399 177.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 77.0 mt -61.94 -45.87 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.76 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.0 m -57.99 -50.44 73.38 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.562 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -45.51 93.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.902 -178.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.5 m -56.05 -41.62 75.33 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.781 0.324 . . . . 0.0 111.264 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.421 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 89.5 t -70.2 -51.39 39.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.986 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.512 HD23 HD12 ' A' ' 110' ' ' LEU . 52.5 mt -62.39 -37.5 86.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.775 -177.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -55.79 -47.49 76.99 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.199 0.524 . . . . 0.0 110.521 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.514 HG21 HG21 ' A' ' 78' ' ' VAL . 91.5 m -67.56 -42.61 82.34 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.07 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.512 HD12 HD23 ' A' ' 107' ' ' LEU . 96.0 mt -58.77 -39.94 82.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -64.97 -37.71 88.56 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.991 0.424 . . . . 0.0 110.599 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' A' ' 69' ' ' TYR . . . -68.03 -38.39 82.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.278 -177.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.3 t -74.92 -41.58 46.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.213 0.53 . . . . 0.0 110.335 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -56.21 -42.6 77.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.883 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.94 -41.4 87.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.85 -41.04 99.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.435 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 68.8 mt -61.23 -44.15 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.946 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.64 -30.91 68.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 25.6 ttm105 -66.81 -49.25 66.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.254 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 . . . . . 0 C--N 1.324 -0.515 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -175.92 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 26.1 tp . . . . . 0 CA--C 1.532 0.268 0 CA-C-O 120.919 0.39 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.479 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 49.8 tp -77.3 -47.5 19.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.43 -173.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . 0.539 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 1.0 OUTLIER -56.52 -42.8 79.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.979 0.419 . . . . 0.0 110.757 -176.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.563 ' SD ' ' HD2' ' A' ' 53' ' ' ARG . 49.5 ttp -57.99 -41.79 83.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.721 177.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.49 ' O ' HG13 ' A' ' 14' ' ' ILE . 24.8 m -67.1 -45.19 77.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.95 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 30.7 mm-40 -57.12 -44.13 83.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.209 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.482 ' O ' HG23 ' A' ' 16' ' ' VAL . 53.0 tt0 -61.45 -42.06 98.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.569 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.545 ' SD ' HD21 ' A' ' 110' ' ' LEU . 49.0 ttm -66.54 -38.54 87.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.55 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 10' ' ' THR . 77.8 mt -63.02 -49.8 82.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.445 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -58.75 -43.33 90.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.485 -177.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 12' ' ' GLN . 94.3 t -61.73 -44.64 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.036 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.88 -47.95 73.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.728 0.299 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.3 -44.3 95.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.601 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -74.77 -37.52 62.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.453 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.06 -41.41 95.15 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.382 -0.914 . . . . 0.0 112.372 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.537 ' HA ' ' CE2' ' A' ' 99' ' ' PHE . . . -64.53 -45.18 88.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.969 0.414 . . . . 0.0 110.939 178.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -69.34 -40.57 77.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.934 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -65.54 -35.96 82.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.918 0.389 . . . . 0.0 110.651 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.519 ' HE1' ' HD2' ' A' ' 92' ' ' HIS . 45.4 t80 -71.1 -34.5 71.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.172 0.511 . . . . 0.0 109.924 178.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 . . . . . 0 C--N 1.327 -0.37 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.836 178.574 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.606 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 63.0 tttp . . . . . 0 CA--C 1.538 0.515 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.414 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.476 ' CD ' ' HB3' ' A' ' 41' ' ' LYS . 16.3 Cg_endo -57.19 -31.91 91.96 Favored 'Trans proline' 0 C--N 1.364 1.375 0 C-N-CA 122.282 1.988 . . . . 0.0 112.829 -175.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.55 -46.84 68.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.243 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.4 t -63.15 -40.27 88.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.697 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 5.3 mm-40 -56.72 -49.02 76.42 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.237 0.541 . . . . 0.0 109.968 177.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 55.1 mm-40 -60.84 -49.41 77.61 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.039 176.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -58.82 -44.39 90.83 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -59.66 -55.04 39.42 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.209 0.318 . . . . 0.0 110.764 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -61.93 -39.83 93.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.046 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 12.8 tp -64.39 -53.74 43.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.498 -176.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.5 86.78 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.045 -177.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.777 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . . . -64.87 -56.85 10.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.562 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.563 ' HD2' ' SD ' ' A' ' 9' ' ' MET . 1.8 tmt_? -65.87 -33.25 75.41 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.077 -177.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.529 ' HA ' ' CE ' ' A' ' 9' ' ' MET . 59.0 t90 -66.43 -49.24 67.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.626 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.41 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -58.75 -45.2 90.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.247 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -60.35 -41.74 94.28 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.418 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.72 -43.36 67.7 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.736 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.12 -43.06 96.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.903 0.382 . . . . 0.0 110.779 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.47 HD23 HD11 ' A' ' 62' ' ' ILE . 52.0 mt -61.61 -37.56 84.36 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.849 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 64' ' ' VAL . 17.4 tp10 -54.98 -51.9 64.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.074 177.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 61' ' ' LEU . 4.1 mm? -63.74 -46.49 85.13 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -176.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.47 HD11 HD23 ' A' ' 59' ' ' LEU . 35.6 pt -72.53 -17.58 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.906 0.384 . . . . 0.0 111.154 -177.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -78.19 -42.84 30.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.338 177.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 60' ' ' GLU . 93.4 t -74.0 -48.48 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.669 -177.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -99.6 -78.83 0.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.781 0.324 . . . . 0.0 111.04 -178.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.757 ' HG2' ' HD2' ' A' ' 67' ' ' PRO . 3.2 ttm180 -174.3 157.25 2.48 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -178.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.757 ' HD2' ' HG2' ' A' ' 66' ' ' ARG . 15.2 Cg_exo -70.94 106.54 1.9 Allowed 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 121.746 1.631 . . . . 0.0 112.082 172.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.39 124.27 35.45 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 176.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 66.32 -70.81 0.1 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.769 0.668 . . . . 0.0 111.661 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.403 HG21 HG23 ' A' ' 109' ' ' THR . 11.1 p -76.57 147.5 7.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.605 0.717 . . . . 0.0 111.661 -173.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -97.54 145.97 25.72 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 173.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.427 ' HB2' ' NZ ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -58.5 -34.4 70.89 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.296 0.498 . . . . 0.0 111.773 -173.334 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -66.95 -29.16 68.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.738 0.304 . . . . 0.0 110.962 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.402 ' OE1' HG23 ' A' ' 70' ' ' VAL . 29.4 tt0 -67.37 -39.04 85.64 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 65.6 mt -63.02 -43.02 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.027 176.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 72' ' ' LYS . 57.5 mm-40 -58.19 -43.06 87.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.59 177.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.17 -50.83 59.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.184 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.478 HG13 HG13 ' A' ' 106' ' ' VAL . 65.8 t -58.19 -38.35 67.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.339 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.777 ' HE3' ' HA ' ' A' ' 52' ' ' ALA . 87.4 tttt -57.21 -43.44 82.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.808 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.22 -45.1 27.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.615 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -56.69 -38.95 72.97 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.316 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -60.81 -45.93 92.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.864 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.29 -42.76 83.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.774 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -61.7 -43.19 99.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.526 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.9 tt -55.13 -53.35 57.05 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.461 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.1 t -61.66 -47.97 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.35 -48.17 82.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.494 -177.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.499 ' HA ' HG22 ' A' ' 91' ' ' VAL . 28.2 mm-40 -73.08 -19.5 61.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.586 -175.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.8 t -69.16 -50.55 46.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.342 . . . . 0.0 110.283 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -65.42 -39.02 91.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.463 -178.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 88' ' ' GLN . 23.5 m -83.14 -8.36 11.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.34 -178.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.519 ' HD2' ' HE1' ' A' ' 24' ' ' TYR . 39.2 m80 62.73 33.0 15.81 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.366 175.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -90.57 -14.89 31.63 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.022 0.439 . . . . 0.0 110.645 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 9.6 tp -94.3 145.04 8.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.507 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -96.78 150.36 20.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.543 ' HA ' ' HB3' ' A' ' 99' ' ' PHE . 20.8 pttp -64.49 -22.42 66.96 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -171.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -59.8 -57.48 12.71 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.373 0.606 . . . . 0.0 110.44 174.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -79.53 -26.48 41.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.528 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.543 ' HB3' ' HA ' ' A' ' 96' ' ' LYS . 65.1 t80 -58.05 -48.59 79.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.664 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -69.1 -37.18 78.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.283 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -57.9 -50.86 71.89 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.66 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.422 ' O ' HG23 ' A' ' 106' ' ' VAL . 83.1 mt -62.02 -49.82 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.717 178.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.409 HG21 ' HB2' ' A' ' 21' ' ' ALA . 31.1 m -56.35 -47.41 78.88 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 -179.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -62.21 -46.89 86.89 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.7 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.2 m -56.33 -41.84 76.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.926 177.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.478 HG13 HG13 ' A' ' 78' ' ' VAL . 75.7 t -65.78 -50.89 67.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.637 177.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.465 HD23 HD12 ' A' ' 110' ' ' LEU . 97.3 mt -59.54 -40.48 87.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.237 -178.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -54.46 -51.45 64.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 110.865 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.403 HG23 HG21 ' A' ' 70' ' ' VAL . 88.9 m -62.34 -39.72 94.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.74 178.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.545 HD21 ' SD ' ' A' ' 13' ' ' MET . 96.0 mt -60.96 -41.38 96.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 177.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 58.4 m170 -69.0 -33.29 73.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.407 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.62 74.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.99 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 117' ' ' ILE . 66.8 t -70.44 -44.25 77.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.175 -179.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -57.27 -37.67 72.72 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.181 0.515 . . . . 0.0 110.681 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.638 ' O ' ' HB2' ' A' ' 119' ' ' ARG . 14.6 t70 -60.89 -52.27 65.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.774 -178.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.468 ' HA ' ' HB2' ' A' ' 119' ' ' ARG . 6.3 pt-20 -66.92 -32.46 73.73 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -178.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 113' ' ' VAL . 74.1 mt -57.03 -39.8 68.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.853 0.359 . . . . 0.0 110.571 177.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -94.06 -17.4 22.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.413 . . . . 0.0 111.148 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.638 ' HB2' ' O ' ' A' ' 115' ' ' ASP . 1.4 tpt180 -73.37 -55.13 6.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.449 -177.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 C--N 1.328 -0.358 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 176.87 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.5 tp . . . . . 0 C--O 1.235 0.295 0 CA-C-O 120.699 0.285 . . . . 0.0 111.579 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.602 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 57.4 tp -64.36 -50.26 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.653 -177.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -61.82 -32.32 72.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.921 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.405 ' O ' ' HG3' ' A' ' 13' ' ' MET . 77.4 mtp -62.16 -45.4 93.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.825 177.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.435 ' O ' HG13 ' A' ' 14' ' ' ILE . 23.7 m -66.68 -43.16 85.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.226 178.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 19.8 mm-40 -56.94 -41.93 79.13 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.433 177.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.484 ' O ' HG23 ' A' ' 16' ' ' VAL . 61.1 tt0 -65.85 -42.72 90.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.957 178.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.421 ' HG2' HD21 ' A' ' 50' ' ' LEU . 80.1 mtp -62.13 -39.59 93.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.957 179.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 10' ' ' THR . 81.1 mt -60.2 -44.71 96.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.058 0.456 . . . . 0.0 109.797 175.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -61.79 -46.84 87.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.106 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 12' ' ' GLN . 62.0 t -62.11 -46.17 97.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.882 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.2 -46.58 89.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.759 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -60.77 -47.41 86.45 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.484 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -60.21 -49.24 78.39 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.787 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.36 -36.77 92.09 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.881 -177.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HA ' ' HE1' ' A' ' 99' ' ' PHE . . . -70.72 -39.24 73.52 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -178.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -77.69 -28.91 51.18 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.801 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -64.47 -36.3 83.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.467 0.651 . . . . 0.0 109.421 171.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.693 ' HD1' ' HA ' ' A' ' 89' ' ' SER . 9.4 t80 -65.8 -34.72 78.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.135 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.779 -179.716 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.593 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 43.4 tptt . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 119.237 -0.411 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.593 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 47.9 Cg_exo -56.96 -33.07 94.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 121.805 1.67 . . . . 0.0 112.497 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.98 -22.38 49.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.636 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 66.4 t -62.11 -50.12 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.07 -174.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -60.03 -39.47 86.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.438 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 33.1 mm-40 -64.43 -53.09 53.84 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-O 120.609 0.242 . . . . 0.0 111.134 178.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -59.92 -43.98 94.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.454 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.78 -53.42 58.36 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.169 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.18 -42.95 99.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.188 177.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 12.7 tp -58.39 -53.23 60.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.685 -177.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.765 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -60.06 -44.62 94.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.481 -177.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.57 -52.41 57.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.18 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.59 -38.01 88.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.269 -176.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.5 t90 -69.09 -43.11 75.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.598 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.34 87.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.892 0.377 . . . . 0.0 110.324 176.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -59.77 -40.8 89.42 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.831 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.91 -42.24 45.95 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.299 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.51 89.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.788 0.328 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.678 HD23 HD11 ' A' ' 62' ' ' ILE . 29.3 mt -62.97 -33.9 76.37 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.851 178.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.522 ' O ' HG23 ' A' ' 64' ' ' VAL . 26.1 tp10 -62.41 -49.32 75.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.457 174.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.6 tt -63.66 -47.41 81.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.205 -175.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.678 HD11 HD23 ' A' ' 59' ' ' LEU . 42.8 pt -73.03 -8.4 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.063 0.459 . . . . 0.0 111.014 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 60' ' ' GLU . 15.1 tttt -81.91 -45.88 14.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.777 172.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 60' ' ' GLU . 86.3 t -61.0 -48.36 89.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.782 -176.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 65' ' ' ARG . 0.3 OUTLIER -122.48 177.58 5.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 -175.696 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -92.48 108.13 28.99 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 177.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.422 ' HG3' ' HB ' ' A' ' 62' ' ' ILE . 55.9 Cg_endo -70.75 170.91 16.62 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.535 2.157 . . . . 0.0 111.518 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.595 ' HB3' ' NZ ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -157.84 -29.71 0.08 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.592 178.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -94.36 -36.03 12.12 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.015 0.436 . . . . 0.0 110.004 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.49 HG21 HG22 ' A' ' 113' ' ' VAL . 7.1 p -103.43 142.13 17.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.585 177.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -116.51 153.38 32.27 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -67.59 -27.8 67.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.288 -178.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -61.64 -41.13 97.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.036 0.446 . . . . 0.0 110.405 172.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.468 ' HB3' ' CG2' ' A' ' 109' ' ' THR . 54.9 mt-30 -62.13 -40.53 96.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.292 -177.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.3 mm -61.63 -43.75 97.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.029 0.443 . . . . 0.0 110.655 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -72.17 -36.42 69.28 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.35 74.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.769 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.51 HG13 HG13 ' A' ' 106' ' ' VAL . 66.8 t -63.26 -38.75 82.95 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.681 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.765 ' HG3' ' HB1' ' A' ' 51' ' ' ALA . 38.7 ttpt -55.84 -45.69 78.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.974 0.416 . . . . 0.0 111.027 179.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -77.09 -47.37 20.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.044 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -60.92 -38.25 85.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.715 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.4 ' O ' HG23 ' A' ' 86' ' ' VAL . 44.7 t80 -61.45 -47.38 85.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.802 0.334 . . . . 0.0 110.612 -177.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 53.2 mt -60.78 -42.18 97.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.966 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.637 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 45.4 tt0 -67.53 -42.93 81.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.234 178.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.87 -50.45 68.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.721 -178.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 82' ' ' PHE . 84.2 t -57.52 -46.1 86.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.724 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 61.7 tp -61.37 -42.67 99.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.99 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.637 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 28.6 mm-40 -65.37 -36.19 83.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 -177.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . 0.693 ' HA ' ' HD1' ' A' ' 24' ' ' TYR . 26.7 t -55.93 -38.5 70.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.689 -175.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -82.31 -49.28 10.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.739 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.8 m -78.05 -21.14 13.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -173.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 36.3 m80 58.38 53.66 6.19 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.333 0.587 . . . . 0.0 110.08 -177.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.431 ' HB3' ' OE1' ' A' ' 88' ' ' GLN . 73.5 t60 -79.08 -44.26 22.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.049 -176.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.6 pt -97.68 -168.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.856 0.36 . . . . 0.0 110.949 -177.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -109.57 154.71 22.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.635 -178.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.403 ' HB2' ' HE3' ' A' ' 96' ' ' LYS . 49.1 mtmt -56.76 -43.38 80.7 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -174.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -55.28 -45.28 76.18 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.967 0.413 . . . . 0.0 110.851 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.435 ' O ' HG13 ' A' ' 102' ' ' ILE . 8.0 tpm_? -73.95 -39.13 63.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.093 -179.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.412 ' HE1' ' HA ' ' A' ' 21' ' ' ALA . 34.6 t80 -63.4 -49.15 74.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.765 -178.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -64.46 -31.68 72.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.996 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -68.0 -44.58 76.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.997 0.427 . . . . 0.0 110.414 175.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 98' ' ' ARG . 84.5 mt -60.14 -41.75 87.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.701 173.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.1 m -59.24 -45.91 89.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.205 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -59.56 -42.64 92.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.425 175.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.4 t -57.97 -44.67 87.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.06 0.457 . . . . 0.0 110.321 177.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.51 HG13 HG13 ' A' ' 78' ' ' VAL . 98.6 t -67.28 -53.22 34.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.006 178.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.539 HD23 HD12 ' A' ' 110' ' ' LEU . 82.4 mt -62.97 -38.19 90.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -175.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -63.11 -40.48 97.74 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 113' ' ' VAL . 86.4 m -64.52 -45.21 88.23 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.303 175.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.539 HD12 HD23 ' A' ' 107' ' ' LEU . 99.1 mt -61.62 -38.04 86.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -64.08 -37.91 89.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.593 176.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.19 -44.02 85.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.702 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 109' ' ' THR . 50.5 t -65.11 -50.35 74.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.867 178.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -54.53 -42.68 71.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.109 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.526 ' O ' ' HB2' ' A' ' 119' ' ' ARG . 19.3 t0 -60.95 -51.2 70.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.999 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.49 -32.82 73.06 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 113' ' ' VAL . 64.2 mt -63.0 -50.78 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.303 175.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.75 -9.79 58.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.155 0.502 . . . . 0.0 110.681 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.526 ' HB2' ' O ' ' A' ' 115' ' ' ASP . 6.0 ttt180 -99.36 -7.67 25.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.129 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' ' 117' ' ' ILE . 13.8 mm-40 . . . . . 0 C--O 1.232 0.183 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.744 177.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.3 tp . . . . . 0 C--O 1.235 0.323 0 CA-C-O 121.029 0.442 . . . . 0.0 110.076 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.439 HD11 ' HG3' ' A' ' 114' ' ' LYS . 57.7 tp -56.48 -46.44 80.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.045 177.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -63.73 -37.48 87.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.605 -177.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 44.8 ttp -70.04 -36.68 75.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.9 0.381 . . . . 0.0 109.984 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.566 ' O ' HG13 ' A' ' 14' ' ' ILE . 27.5 m -64.07 -44.45 92.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.777 174.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -52.7 -51.19 61.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.429 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.495 ' O ' HG23 ' A' ' 16' ' ' VAL . 62.1 tt0 -59.99 -43.51 95.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.772 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.0 ttt -64.32 -38.17 90.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.571 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 10' ' ' THR . 73.3 mt -60.89 -46.59 96.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.286 176.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.93 -39.35 89.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.174 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 12' ' ' GLN . 62.1 t -64.64 -40.21 88.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.782 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.77 91.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.891 0.377 . . . . 0.0 110.494 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -58.49 -49.02 78.86 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.65 175.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.609 ' HA ' ' HB3' ' A' ' 22' ' ' ASP . 29.6 mmtm -70.49 -22.63 62.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.044 -178.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.28 -47.02 84.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.694 173.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.541 ' HB2' HG21 ' A' ' 103' ' ' THR . . . -68.06 -37.74 81.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.252 0.548 . . . . 0.0 109.999 175.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.609 ' HB3' ' HA ' ' A' ' 19' ' ' LYS . 9.9 t70 -58.44 -41.86 86.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.716 174.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -63.75 -34.75 78.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.475 -178.67 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -72.06 -36.89 69.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.425 175.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 . . . . . 0 C--N 1.328 -0.365 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.686 178.506 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.637 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 46.2 tptt . . . . . 0 CA--C 1.536 0.411 0 CA-C-O 119.256 -0.402 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.637 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 6.4 Cg_exo -73.89 -47.07 0.28 Allowed 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 121.709 1.606 . . . . 0.0 111.443 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.83 -30.43 71.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.185 -178.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.9 t -63.61 -54.98 25.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.707 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -61.96 -44.28 97.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.695 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 45.0 mm-40 -56.2 -54.31 46.73 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.452 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -68.85 -36.01 77.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.5 -178.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.546 ' HA ' HD21 ' A' ' 83' ' ' LEU . 28.0 t70 -55.49 -52.99 61.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.98 0.419 . . . . 0.0 110.565 175.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -71.33 -30.59 66.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.045 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 12.5 tp -63.38 -51.67 64.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.946 0.403 . . . . 0.0 110.264 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.63 -38.07 86.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.66 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.41 -51.35 66.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.841 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -59.6 -45.4 92.01 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.33 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -62.41 -45.82 91.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.466 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.7 89.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.418 177.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -60.46 -48.56 81.24 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.105 177.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.61 -41.58 99.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.363 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.498 ' HB1' HD13 ' A' ' 75' ' ' ILE . . . -66.11 -43.07 88.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.786 0.327 . . . . 0.0 110.864 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.6 HD23 HD11 ' A' ' 62' ' ' ILE . 51.3 mt -65.53 -36.29 83.38 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.091 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 9.2 tp10 -63.73 -42.49 97.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.271 176.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.8 tp -63.43 -47.3 82.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.067 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.6 HD11 HD23 ' A' ' 59' ' ' LEU . 34.8 pt -79.68 -2.14 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.391 0.615 . . . . 0.0 110.912 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -82.65 -36.35 26.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.233 171.3 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 68.3 t -68.08 -55.31 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.394 178.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.436 ' HB3' ' H ' ' A' ' 66' ' ' ARG . 64.7 mtt180 -136.45 -161.96 1.22 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.616 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.436 ' H ' ' HB3' ' A' ' 65' ' ' ARG . 8.0 mpt_? -90.58 149.06 40.05 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.787 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 8.1 Cg_exo -70.38 138.39 35.74 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.644 2.23 . . . . 0.0 110.817 173.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -86.9 -55.84 3.66 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.996 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -125.33 -43.7 1.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.857 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.78 154.12 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 172.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . 0.432 ' O ' HG13 ' A' ' 75' ' ' ILE . 27.9 m80 -129.36 149.28 51.21 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -60.61 -35.89 77.25 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -48.69 -49.99 35.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.617 172.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -71.58 -40.04 70.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.604 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.498 HD13 ' HB1' ' A' ' 58' ' ' ALA . 93.2 mt -59.62 -45.16 94.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.814 0.34 . . . . 0.0 111.231 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.56 -32.49 69.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.1 0.476 . . . . 0.0 110.533 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.3 -51.31 31.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.797 177.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.429 HG13 HG22 ' A' ' 106' ' ' VAL . 54.6 t -58.97 -40.84 81.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.042 -178.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.551 ' HD3' ' N ' ' A' ' 80' ' ' ASP . 11.7 tmtt? -51.36 -53.14 39.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.422 178.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.551 ' N ' ' HD3' ' A' ' 79' ' ' LYS . 0.7 OUTLIER -78.21 -39.34 40.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.125 -174.795 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -63.9 -34.72 78.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.189 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.491 ' HZ ' ' HB ' ' A' ' 16' ' ' VAL . 50.2 t80 -62.01 -40.91 97.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.548 -179.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.546 HD21 ' HA ' ' A' ' 48' ' ' ASP . 84.8 mt -65.05 -38.05 89.56 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.738 178.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -70.87 -38.35 73.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.628 176.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.576 HD12 HG22 ' A' ' 102' ' ' ILE . 6.2 tt -56.59 -51.98 66.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.147 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.5 t -58.42 -46.03 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.875 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.527 ' O ' HG22 ' A' ' 91' ' ' VAL . 48.6 tp -64.98 -47.73 76.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 -179.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.434 ' HA ' HG22 ' A' ' 91' ' ' VAL . 17.1 mm-40 -63.13 -27.58 69.48 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -176.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.7 t -67.61 -18.87 65.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.627 0.251 . . . . 0.0 110.6 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -110.48 -34.74 6.23 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 87' ' ' LEU . 28.0 m -82.84 -23.91 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.52 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 58.85 45.29 15.58 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 172.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -118.85 70.3 0.82 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 122.503 1.144 . . . . 0.0 110.995 173.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.517 HG13 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -129.01 164.57 31.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 114.532 -1.213 . . . . 0.0 108.744 172.784 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -89.04 -71.21 0.61 Allowed 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.465 -177.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -159.98 -71.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.799 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.452 ' NZ ' ' HB2' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -69.67 -28.86 66.22 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -170.022 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -59.69 -49.71 76.67 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -175.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.517 ' HB2' HG13 ' A' ' 94' ' ' ILE . 73.0 t80 -61.69 -40.89 96.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.031 0.444 . . . . 0.0 110.289 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -67.36 -48.44 67.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.141 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -61.14 -47.49 85.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.156 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.576 HG22 HD12 ' A' ' 85' ' ' LEU . 60.4 mt -58.2 -48.94 83.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.217 178.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.541 HG21 ' HB2' ' A' ' 21' ' ' ALA . 37.4 m -59.8 -46.43 89.24 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.129 0.49 . . . . 0.0 110.478 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -64.74 -46.24 83.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.155 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.4 t -57.56 -47.53 81.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.341 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.429 HG22 HG13 ' A' ' 78' ' ' VAL . 74.3 t -59.61 -49.81 82.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.645 177.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 103' ' ' THR . 95.4 mt -57.97 -47.77 81.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.978 178.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -55.11 -51.43 66.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 113' ' ' VAL . 75.4 m -61.09 -44.15 97.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.816 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 93.9 mt -62.04 -38.59 89.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.731 0.3 . . . . 0.0 111.255 178.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -66.11 -36.76 84.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.347 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.66 -49.13 69.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.611 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 109' ' ' THR . 62.3 t -61.81 -45.6 98.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.991 -179.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.439 ' HG3' HD11 ' A' ' 7' ' ' LEU . 83.3 tttt -55.81 -48.38 75.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.084 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -68.26 -43.3 78.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.987 -175.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -59.07 -43.09 91.74 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.975 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 113' ' ' VAL . 87.4 mt -60.49 -50.74 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-O 120.921 0.391 . . . . 0.0 110.422 176.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.3 -17.44 63.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.581 -179.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -84.43 -19.42 33.48 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.294 0.568 . . . . 0.0 109.836 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.424 174.034 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.8 tp . . . . . 0 C--O 1.234 0.272 0 CA-C-O 120.777 0.322 . . . . 0.0 111.415 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.51 HD11 ' HE3' ' A' ' 114' ' ' LYS . 0.3 OUTLIER -71.39 -49.08 45.57 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -176.818 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -65.32 -28.61 69.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.658 0.266 . . . . 0.0 110.956 -178.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 83.7 mtp -61.15 -47.16 87.48 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 173.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.527 ' O ' HG13 ' A' ' 14' ' ' ILE . 31.0 m -63.88 -49.74 71.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.404 177.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -52.58 -39.6 61.74 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.415 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.466 ' O ' HG23 ' A' ' 16' ' ' VAL . 58.3 tp60 -61.17 -45.24 95.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.812 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.453 ' SD ' HD21 ' A' ' 110' ' ' LEU . 48.2 ttm -68.93 -36.25 77.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.425 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 10' ' ' THR . 67.2 mt -63.77 -42.83 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.116 177.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 38.6 tt0 -58.34 -41.69 85.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.883 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 12' ' ' GLN . 48.0 t -65.37 -40.53 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.3 . . . . 0.0 110.704 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.65 -49.36 73.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.527 177.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -59.69 -44.54 93.6 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.197 176.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 15.2 ttmm -58.85 -44.74 91.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.436 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.39 -42.91 80.7 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.302 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.49 -43.3 99.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.718 0.295 . . . . 0.0 110.998 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.85 -40.78 97.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.983 0.421 . . . . 0.0 110.319 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 23' ' ' ARG . 3.6 tpp180 -65.02 -41.01 95.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.434 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -66.36 -41.39 89.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.412 178.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 . . . . . 0 C--O 1.235 0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.661 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.616 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 21.6 ttpp . . . . . 0 CA--C 1.535 0.395 0 CA-C-O 119.296 -0.383 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.616 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 13.6 Cg_exo -68.88 -43.84 3.2 Favored 'Trans proline' 0 C--N 1.357 1.022 0 C-N-CA 121.333 1.355 . . . . 0.0 111.151 178.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.08 -30.6 71.57 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.995 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.96 -50.51 74.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.405 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -56.96 -46.52 82.08 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.93 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 17.7 mm-40 -59.25 -56.25 24.57 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.446 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -67.91 -36.39 80.11 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -173.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.61 -52.91 63.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.905 0.383 . . . . 0.0 110.765 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -74.79 -27.17 60.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.878 -179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 16.2 tp -61.46 -49.49 76.59 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 174.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.442 ' HA ' ' HE1' ' A' ' 13' ' ' MET . . . -62.6 -40.63 97.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.703 177.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.7 -46.17 89.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.911 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -70.58 -37.7 73.96 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.347 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -66.56 -43.0 86.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.131 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.81 -46.66 87.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.275 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -57.97 -48.32 80.33 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.897 177.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.67 -41.73 99.78 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.165 -0.541 . . . . 0.0 112.459 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.27 -45.59 83.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.591 0.234 . . . . 0.0 110.908 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 72.3 mt -61.01 -40.46 93.64 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.991 0.424 . . . . 0.0 110.7 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -60.7 -47.62 85.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.018 176.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.4 -50.49 71.34 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.842 -177.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 41.9 pt -68.74 -22.1 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.713 0.292 . . . . 0.0 111.77 -176.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.442 ' HE2' ' HB3' ' A' ' 63' ' ' LYS . 3.9 tmmm? -79.62 -43.37 22.99 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 99.5 t -73.14 -51.92 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.484 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -91.35 -88.32 0.19 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.303 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.405 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 32.7 ptt180 175.69 155.59 0.37 Allowed Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.818 -174.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 4.6 Cg_exo -81.2 107.86 1.93 Allowed 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.725 2.283 . . . . 0.0 110.388 169.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.687 ' HB3' ' HG2' ' A' ' 116' ' ' GLU . 10.9 tmtt? -87.79 -38.19 15.95 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -175.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.615 ' HB2' ' HB1' ' A' ' 112' ' ' ALA . 66.9 m-85 -129.86 -54.21 1.14 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.305 0.574 . . . . 0.0 110.136 174.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.511 HG23 HG23 ' A' ' 109' ' ' THR . 9.5 p -66.78 146.87 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.945 -173.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -105.47 155.25 19.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.334 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.53 -38.84 88.89 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -178.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' ' 73' ' ' GLU . 1.7 mp0 -59.1 -42.92 91.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.4 178.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.538 ' O ' HG23 ' A' ' 78' ' ' VAL . 51.7 mt-30 -58.09 -44.73 87.77 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.132 -178.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.56 -40.37 78.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.38 -175.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -75.89 -37.9 58.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.16 0.505 . . . . 0.0 110.266 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.25 -36.57 81.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.468 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 74' ' ' GLN . 53.3 t -60.75 -40.77 86.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.105 -178.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -58.36 -49.33 77.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.036 0.446 . . . . 0.0 110.217 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -59.93 -50.71 72.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.997 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.557 ' HB3' HG23 ' A' ' 102' ' ' ILE . 29.1 m-80 -67.1 -40.11 86.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.966 -176.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.428 ' HZ ' ' HB ' ' A' ' 16' ' ' VAL . 55.2 t80 -66.95 -42.54 85.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.642 -177.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 66.4 mt -63.21 -43.13 98.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.65 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -61.8 -39.22 90.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.368 175.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.529 HD12 HG22 ' A' ' 102' ' ' ILE . 7.8 tt -59.94 -53.28 59.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.136 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.9 t -61.27 -45.07 99.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.993 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.88 -45.17 93.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.218 0.533 . . . . 0.0 111.22 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -92.0 6.93 44.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.396 -175.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.1 t -70.95 -38.45 72.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.045 0.45 . . . . 0.0 110.257 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -83.55 -54.85 4.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.632 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.4 m -74.01 -24.62 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -175.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 31.8 m170 57.3 58.65 3.76 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.203 0.525 . . . . 0.0 111.277 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -71.72 -19.67 62.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.016 176.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 11.6 pt -126.98 98.11 4.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.322 175.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -109.14 71.3 0.77 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.666 0.746 . . . . 0.0 110.36 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.573 ' HG3' ' H ' ' A' ' 97' ' ' LYS . 13.0 tptm -166.73 -161.85 0.47 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.203 -177.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.573 ' H ' ' HG3' ' A' ' 96' ' ' LYS . 98.8 mttt -59.47 -29.04 67.53 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -177.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -53.02 -47.52 68.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.256 -177.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -66.23 -40.47 90.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.171 -179.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 50.1 mtpt -64.72 -48.93 72.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.652 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -60.62 -41.8 95.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.82 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.557 HG23 ' HB3' ' A' ' 81' ' ' ASN . 64.2 mt -58.26 -49.71 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.326 174.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 33.8 m -57.39 -45.23 84.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.536 177.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 100' ' ' LYS . 9.2 mm-40 -58.29 -49.22 77.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.996 178.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 44.1 m -60.31 -42.47 95.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.154 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 102' ' ' ILE . 91.0 t -67.17 -52.05 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.49 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.7 mt -58.73 -44.6 90.51 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.492 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -58.21 -48.65 79.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.686 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.511 HG23 HG23 ' A' ' 70' ' ' VAL . 28.0 m -64.68 -43.73 92.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.97 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.453 HD21 ' SD ' ' A' ' 13' ' ' MET . 92.3 mt -62.03 -43.95 97.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.115 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -65.33 -34.9 79.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 0.0 110.45 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.615 ' HB1' ' HB2' ' A' ' 69' ' ' TYR . . . -67.21 -50.69 59.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.154 -179.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 117' ' ' ILE . 64.4 t -67.35 -38.58 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.353 -177.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.51 ' HE3' HD11 ' A' ' 7' ' ' LEU . 87.3 tttt -56.51 -43.54 79.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.681 177.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -69.1 -35.08 76.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.437 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.687 ' HG2' ' HB3' ' A' ' 68' ' ' LYS . 51.2 mt-10 -66.86 -38.04 85.59 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.053 178.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 113' ' ' VAL . 78.6 mt -60.21 -50.23 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.713 178.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.82 -9.51 58.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.469 -178.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.23 -55.32 4.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.588 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 . . . . . 0 C--N 1.326 -0.428 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.774 -170.555 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.1 tp . . . . . 0 N--CA 1.465 0.299 0 CA-C-O 120.737 0.303 . . . . 0.0 111.538 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.504 HD11 ' HE3' ' A' ' 114' ' ' LYS . 32.9 tp -63.41 -47.57 81.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.762 -179.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -52.33 -42.48 63.89 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.098 0.475 . . . . 0.0 111.389 -178.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.8 mtp -59.64 -45.97 90.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.812 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.432 ' O ' HG13 ' A' ' 14' ' ' ILE . 24.4 m -71.25 -38.1 71.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 21.7 mm-40 -56.57 -44.03 80.58 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.718 178.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.514 ' O ' HG23 ' A' ' 16' ' ' VAL . 60.1 tp60 -65.21 -44.24 88.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.261 177.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 74.5 mmm -54.68 -44.17 73.12 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 10' ' ' THR . 77.6 mt -59.62 -51.94 66.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.362 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.564 ' HG2' ' HD3' ' A' ' 19' ' ' LYS . 21.9 tt0 -66.21 -34.99 79.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.29 -176.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 12' ' ' GLN . 76.9 t -59.3 -46.29 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.674 0.273 . . . . 0.0 110.957 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.77 76.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.63 -35.84 80.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.839 177.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.564 ' HD3' ' HG2' ' A' ' 15' ' ' GLU . 1.2 tptm -64.12 -47.55 79.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.572 177.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.04 -43.71 99.1 Favored Glycine 0 C--N 1.333 0.37 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.148 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 25' ' ' GLN . . . -59.48 -46.64 88.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.714 0.293 . . . . 0.0 110.575 176.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -58.75 -48.24 81.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.209 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -58.84 -43.38 90.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.877 -175.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -75.04 -41.42 59.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.956 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.304 0 CA-C-O 121.097 0.475 . . . . 0.0 109.771 -178.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.541 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 42.6 tttm . . . . . 0 CA--C 1.541 0.604 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.541 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 52.7 Cg_exo -56.12 -40.03 87.48 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.096 1.864 . . . . 0.0 113.205 -175.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.31 -41.0 70.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.747 0.308 . . . . 0.0 110.638 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 98.5 t -60.09 -43.26 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.455 179.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 47.5 mt-10 -54.99 -50.93 67.78 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.964 0.412 . . . . 0.0 111.051 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -61.89 -51.31 68.67 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.264 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -61.53 -39.01 89.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.17 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.527 ' HA ' HD21 ' A' ' 83' ' ' LEU . 25.9 t70 -59.62 -44.4 93.45 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.961 0.41 . . . . 0.0 110.816 178.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -63.46 -49.42 73.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.056 175.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.2 mp -57.64 -52.97 63.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.525 -178.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.71 -35.07 72.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.382 -177.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.432 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . . . -68.25 -57.38 6.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.142 -179.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -31.35 67.59 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.58 -175.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -64.14 -42.85 96.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 110.26 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.68 -43.88 97.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.447 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.69 -34.06 77.02 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.976 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.8 -43.7 65.62 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.1 -0.572 . . . . 0.0 111.779 175.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.19 98.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.973 0.416 . . . . 0.0 110.459 177.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.66 HD23 HD11 ' A' ' 62' ' ' ILE . 48.9 mt -60.05 -35.71 75.72 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.004 176.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -61.94 -45.38 93.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.819 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.86 -44.66 76.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.56 -178.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.66 HD11 HD23 ' A' ' 59' ' ' LEU . 40.6 pt -76.13 -6.69 9.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.097 0.475 . . . . 0.0 110.891 -179.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -81.77 -40.69 22.27 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 172.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.4 t -73.96 -50.54 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.09 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.451 ' HB3' ' H ' ' A' ' 66' ' ' ARG . 85.2 mtt180 -114.45 -161.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.175 0.512 . . . . 0.0 111.375 -177.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.451 ' H ' ' HB3' ' A' ' 65' ' ' ARG . 10.1 mpt_? -80.96 160.27 66.55 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.153 174.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.16 -52.78 8.1 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.724 2.283 . . . . 0.0 112.584 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.482 ' HG2' ' CD ' ' A' ' 116' ' ' GLU . 23.4 tptm 64.55 107.03 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.762 0.664 . . . . 0.0 111.58 177.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.53 ' HB2' ' HB1' ' A' ' 112' ' ' ALA . 34.6 m-85 68.89 -68.42 0.18 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.627 -177.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.637 HG21 HG23 ' A' ' 109' ' ' THR . 13.5 p -92.36 158.87 2.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.367 -174.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -122.25 163.78 19.03 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 176.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -62.74 -34.65 77.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.322 . . . . 0.0 110.946 -176.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -59.23 -38.38 79.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.259 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 78' ' ' VAL . 15.2 mm100 -71.6 -45.52 61.9 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.805 178.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.8 mt -59.13 -42.73 87.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -178.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -68.72 -32.95 73.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.935 0.398 . . . . 0.0 110.875 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.15 -46.51 67.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.18 176.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.438 HG13 HG22 ' A' ' 106' ' ' VAL . 70.4 t -60.98 -35.39 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.066 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 52' ' ' ALA . 81.8 tttt -55.47 -46.01 76.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.015 0.436 . . . . 0.0 110.813 178.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -77.47 -42.89 34.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.596 178.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.523 ' HB3' HG23 ' A' ' 102' ' ' ILE . 94.6 m-20 -65.88 -26.95 67.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.0 -175.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -65.49 -47.81 74.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.177 0.513 . . . . 0.0 109.723 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.527 HD21 ' HA ' ' A' ' 48' ' ' ASP . 98.3 mt -69.08 -37.12 78.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.104 178.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . 0.551 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 15.7 tp10 -57.86 -47.92 81.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.344 174.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.1 tt -55.44 -50.46 69.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 61.8 t -62.53 -46.07 97.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.945 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 42.5 tp -69.0 -44.47 72.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.507 -177.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.57 ' HG3' HD13 ' A' ' 94' ' ' ILE . 3.1 pt20 -64.7 -26.76 68.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.0 -175.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.0 t -65.54 -34.16 77.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.329 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -92.77 -37.42 12.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.994 -178.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.547 HG22 ' HA ' ' A' ' 88' ' ' GLN . 34.4 m -79.02 -19.3 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.069 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 39.6 m80 68.33 27.81 6.42 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.016 0.746 . . . . 0.0 113.016 171.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -89.44 39.87 0.96 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.984 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.57 HD13 ' HG3' ' A' ' 88' ' ' GLN . 24.4 pt -142.97 177.03 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.988 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -134.91 -72.99 0.47 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.949 174.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -149.55 -57.33 0.19 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.279 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.587 ' H ' ' HD2' ' A' ' 97' ' ' LYS . 8.5 mptt -51.83 -54.1 32.82 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.896 -173.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -63.01 -49.83 73.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 -177.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.48 -43.73 89.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.028 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -44.76 83.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.269 -178.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -65.31 -45.02 86.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.823 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.523 HG23 ' HB3' ' A' ' 81' ' ' ASN . 74.4 mt -60.43 -50.95 78.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.715 178.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 54.0 m -58.02 -44.06 87.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.111 0.481 . . . . 0.0 110.501 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.94 -51.71 67.0 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.187 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.0 m -60.0 -39.43 85.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.056 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.494 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 74.9 t -66.99 -52.02 48.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.637 0.256 . . . . 0.0 110.71 178.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.462 HD13 HD12 ' A' ' 110' ' ' LEU . 4.2 mm? -63.18 -38.67 92.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.292 -178.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -62.38 -40.63 97.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 110.201 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.637 HG23 HG21 ' A' ' 70' ' ' VAL . 93.9 m -65.68 -42.48 91.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.526 176.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 97.2 mt -59.63 -44.47 93.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.42 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -58.63 -40.28 82.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 178.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.53 ' HB1' ' HB2' ' A' ' 69' ' ' TYR . . . -64.77 -46.35 82.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.234 -177.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.502 ' O ' HG13 ' A' ' 117' ' ' ILE . 58.4 t -72.92 -39.94 59.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.188 0.518 . . . . 0.0 110.206 -178.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.504 ' HE3' HD11 ' A' ' 7' ' ' LEU . 1.3 tmtp? -60.9 -37.99 84.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.773 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -60.84 -47.95 84.02 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.785 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.482 ' CD ' ' HG2' ' A' ' 68' ' ' LYS . 26.6 mm-40 -64.33 -38.19 90.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.529 -179.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 113' ' ' VAL . 70.9 mt -59.55 -45.52 93.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.279 0.562 . . . . 0.0 110.236 178.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -82.18 -6.64 59.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.107 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 32.5 ttm-85 -93.28 -20.95 19.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.663 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 . . . . . 0 C--N 1.325 -0.475 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.864 176.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.7 tp . . . . . 0 C--O 1.234 0.277 0 CA-C-O 121.126 0.489 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.9 tp -65.33 -51.23 62.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.141 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -57.82 -42.53 84.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.995 0.426 . . . . 0.0 110.48 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 82.5 mtp -58.15 -51.22 70.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.774 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.543 ' O ' HG13 ' A' ' 14' ' ' ILE . 19.5 m -63.49 -49.59 73.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.584 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -55.15 -43.42 74.19 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.3 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.508 ' O ' HG23 ' A' ' 16' ' ' VAL . 57.7 tp60 -62.26 -46.8 87.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.497 177.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 92.6 mtp -64.85 -34.82 79.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.346 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.625 HG12 ' HB3' ' A' ' 110' ' ' LEU . 67.2 mt -63.15 -43.65 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.199 176.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -64.4 -39.22 93.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.601 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 12' ' ' GLN . 95.9 t -61.69 -40.79 88.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.593 176.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.7 -45.23 87.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.99 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -56.16 -48.99 75.25 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.66 175.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -66.86 -35.28 79.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.296 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.21 -48.91 83.15 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.103 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.598 ' HB2' HG21 ' A' ' 103' ' ' THR . . . -64.25 -42.4 96.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.965 0.412 . . . . 0.0 110.406 177.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -56.78 -43.82 81.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.875 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.48 -40.5 80.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.374 -176.354 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.438 ' CE2' ' HA ' ' A' ' 96' ' ' LYS . 55.2 t80 -75.36 -37.96 60.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.626 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 . . . . . 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.204 -178.93 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.471 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 25.1 ttpp . . . . . 0 CA--C 1.531 0.221 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.471 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 21.5 Cg_endo -59.93 -46.09 21.17 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 122.015 1.81 . . . . 0.0 112.117 -178.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.38 -35.46 79.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.405 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.8 t -66.96 -45.93 86.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.792 177.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -62.59 -42.85 99.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.323 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -56.92 -55.83 29.5 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.092 0.473 . . . . 0.0 110.916 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.446 ' HB3' ' HE2' ' A' ' 82' ' ' PHE . 92.3 m-20 -67.36 -24.83 65.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.072 -177.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.555 ' HA ' HD11 ' A' ' 83' ' ' LEU . 19.3 t70 -64.67 -49.68 70.02 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 174.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.79 -41.33 97.95 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.042 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.13 -53.2 61.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.491 -179.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.13 -38.75 82.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.352 -177.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.24 99.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.897 0.38 . . . . 0.0 110.932 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -34.33 62.7 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.861 178.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -65.28 -44.34 88.32 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 176.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.94 -44.92 87.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.457 177.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -60.93 -39.56 89.91 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.767 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.427 ' O ' ' HB3' ' A' ' 60' ' ' GLU . . . -67.84 -43.23 84.25 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.105 177.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.476 ' HB1' HD13 ' A' ' 75' ' ' ILE . . . -65.0 -45.54 85.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.818 0.342 . . . . 0.0 110.657 177.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.558 HD23 HD11 ' A' ' 62' ' ' ILE . 53.5 mt -59.32 -33.61 71.33 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.178 0.513 . . . . 0.0 110.756 177.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.479 ' O ' HG23 ' A' ' 64' ' ' VAL . 31.7 tp10 -63.19 -53.96 45.07 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.252 175.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.68 -41.13 98.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.045 -176.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.614 HG22 ' HG2' ' A' ' 67' ' ' PRO . 42.4 pt -68.11 -29.16 43.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -174.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.479 ' HE3' ' HA ' ' A' ' 60' ' ' GLU . 21.7 pttp -82.13 -26.28 33.65 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 119.651 -0.819 . . . . 0.0 110.573 178.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 60' ' ' GLU . 61.8 t -80.69 -47.4 20.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.019 178.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -137.56 167.0 22.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.506 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.508 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 98.4 mtt180 -92.14 115.48 64.76 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.09 176.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.614 ' HG2' HG22 ' A' ' 62' ' ' ILE . 3.4 Cg_exo -75.02 7.63 2.79 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.407 2.738 . . . . 0.0 112.71 -176.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.6 mttp 69.87 -70.46 0.14 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.448 172.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . 0.512 ' HB2' ' HB1' ' A' ' 112' ' ' ALA . 2.8 m-85 -77.83 -56.68 4.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.067 0.46 . . . . 0.0 111.653 -171.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.449 HG21 HG23 ' A' ' 109' ' ' THR . 12.7 p -81.27 147.46 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.704 -171.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -112.05 159.57 18.35 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -67.44 -29.04 68.41 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.566 -173.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -64.4 -38.6 91.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.11 0.481 . . . . 0.0 110.359 176.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 78' ' ' VAL . 15.5 mm-40 -62.36 -43.58 98.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.575 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.476 HD13 ' HB1' ' A' ' 58' ' ' ALA . 63.0 mt -61.86 -41.35 90.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.801 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.411 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . 5.9 mm-40 -68.54 -37.01 79.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.14 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.81 -45.87 73.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.592 177.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.422 HG13 HG13 ' A' ' 106' ' ' VAL . 73.7 t -61.6 -35.58 68.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.209 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -52.64 -53.43 47.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.013 0.435 . . . . 0.0 111.34 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -75.13 -37.77 61.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -64.24 -31.71 73.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.14 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.446 ' HE2' ' HB3' ' A' ' 47' ' ' ASN . 79.8 t80 -64.85 -54.35 32.4 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . 0.555 HD11 ' HA ' ' A' ' 48' ' ' ASP . 4.5 mm? -58.34 -42.5 86.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.594 177.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -56.9 -51.44 69.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.12 177.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.506 ' HA ' HE21 ' A' ' 88' ' ' GLN . 7.0 tt -57.06 -48.73 77.83 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.585 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 82' ' ' PHE . 76.3 t -57.97 -45.65 87.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.264 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.1 tp -69.09 -44.98 71.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.002 0.43 . . . . 0.0 111.415 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.506 HE21 ' HA ' ' A' ' 85' ' ' LEU . 24.9 pt20 -83.08 2.59 34.45 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -173.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.6 p -67.81 -27.99 67.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -90.4 -46.42 8.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.392 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.473 HG22 ' HA ' ' A' ' 88' ' ' GLN . 30.4 m -91.06 -33.22 5.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -171.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.8 m170 59.05 88.4 0.07 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 122.793 0.437 . . . . 0.0 111.012 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -112.8 8.05 18.67 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.284 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.54 HD13 ' HB2' ' A' ' 99' ' ' PHE . 2.0 pp -115.69 -177.53 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.796 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -99.43 145.53 27.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.892 175.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . 0.438 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 22.2 ptmt -54.99 -33.13 62.3 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -173.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 97' ' ' LYS . 69.1 mmtt -67.96 -37.26 81.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.665 0.269 . . . . 0.0 111.453 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.561 ' NE ' ' HA ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -78.91 -31.76 45.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.525 -175.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.54 ' HB2' HD13 ' A' ' 94' ' ' ILE . 37.8 t80 -62.43 -34.04 75.98 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.096 0.474 . . . . 0.0 110.117 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -51.05 71.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.246 176.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -59.76 -42.32 92.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.164 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 98' ' ' ARG . 79.4 mt -57.82 -51.76 66.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.16 177.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.598 HG21 ' HB2' ' A' ' 21' ' ' ALA . 29.3 m -58.28 -47.57 83.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.687 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 108' ' ' TYR . 8.3 mm-40 -60.03 -41.54 92.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.881 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.3 m -68.13 -40.54 82.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.813 0.339 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 102' ' ' ILE . 95.9 t -66.69 -50.33 66.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.291 177.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 55.8 mt -59.17 -45.24 91.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.465 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' A' ' 104' ' ' GLU . 8.4 t80 -56.15 -42.18 76.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.15 0.5 . . . . 0.0 110.295 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.449 HG23 HG21 ' A' ' 70' ' ' VAL . 86.6 m -70.07 -46.08 65.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.969 178.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.625 ' HB3' HG12 ' A' ' 14' ' ' ILE . 95.4 mt -60.55 -41.95 95.56 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.196 -179.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -63.65 -36.67 84.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.101 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' ' 69' ' ' TYR . . . -67.09 -47.68 70.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.398 -178.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 81.9 t -62.9 -43.96 99.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.022 0.439 . . . . 0.0 110.099 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.432 ' HD2' ' C ' ' A' ' 114' ' ' LYS . 0.6 OUTLIER -54.31 -45.11 72.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.189 176.197 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -69.0 -42.05 76.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.554 -172.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -61.91 -41.21 97.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.867 0.365 . . . . 0.0 110.742 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 75.1 mt -62.3 -45.14 99.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 120.988 0.423 . . . . 0.0 110.65 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.42 -20.43 61.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.684 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -78.08 -26.95 48.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.905 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 . . . . . 0 C--N 1.323 -0.548 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.843 174.349 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.3 tp . . . . . 0 N--CA 1.467 0.377 0 CA-C-O 120.862 0.363 . . . . 0.0 111.529 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.423 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -67.74 -42.82 81.25 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -179.285 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.74 -43.16 98.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.424 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 68.0 mtp -56.53 -43.57 79.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.883 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.474 ' O ' HG13 ' A' ' 14' ' ' ILE . 22.8 m -71.01 -50.86 29.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.804 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -55.52 -36.4 66.69 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.477 ' O ' HG23 ' A' ' 16' ' ' VAL . 49.9 tt0 -61.31 -51.34 69.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 110.173 175.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 48.8 ttm -60.7 -38.99 86.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.825 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.58 HG12 ' HB3' ' A' ' 110' ' ' LEU . 67.1 mt -62.91 -49.32 84.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.684 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . 0.443 ' HG2' ' HE2' ' A' ' 19' ' ' LYS . 33.8 tt0 -65.52 -39.42 91.8 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.811 -177.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 12' ' ' GLN . 81.2 t -62.22 -42.45 95.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.446 0.165 . . . . 0.0 110.802 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.07 89.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.905 0.383 . . . . 0.0 110.627 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.65 -46.39 90.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.243 177.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HE2' ' HG2' ' A' ' 15' ' ' GLU . 51.7 mtmt -68.64 -30.63 69.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.196 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.05 -45.04 63.99 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.087 -0.577 . . . . 0.0 111.786 177.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.578 ' HB2' HG21 ' A' ' 103' ' ' THR . . . -68.22 -38.44 81.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.87 0.367 . . . . 0.0 110.326 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.16 -41.14 87.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.367 175.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -59.47 -46.89 87.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.615 176.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -64.71 -36.74 85.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.471 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.324 -0.521 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.397 -179.611 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.615 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 29.3 tptp . . . . . 0 CA--C 1.539 0.522 0 CA-C-O 119.409 -0.329 . . . . 0.0 110.767 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.615 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 7.9 Cg_exo -72.24 -37.87 4.18 Favored 'Trans proline' 0 C--N 1.359 1.125 0 C-N-CA 121.553 1.502 . . . . 0.0 111.948 -178.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.66 -43.14 66.59 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.394 -176.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.1 t -57.84 -50.67 76.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.036 -176.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -64.42 -45.53 87.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 6.1 tm-20 -54.46 -59.03 5.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.364 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -63.64 -36.42 83.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.724 -175.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.61 -49.88 67.11 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.785 0.326 . . . . 0.0 110.647 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -62.15 -41.64 98.47 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.296 0.569 . . . . 0.0 110.321 176.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 6.0 tp -59.62 -53.59 56.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.854 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.498 ' HB1' ' HG2' ' A' ' 79' ' ' LYS . . . -60.62 -38.31 84.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.465 -177.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.76 -53.73 53.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.851 0.358 . . . . 0.0 110.643 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.65 -33.52 75.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.117 -178.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -66.86 -45.78 77.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.221 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.61 -46.99 88.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.439 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -60.4 -36.1 77.31 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.269 178.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.72 -47.74 31.9 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.33 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.55 -47.17 85.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.813 0.34 . . . . 0.0 111.043 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.515 HD23 HD11 ' A' ' 62' ' ' ILE . 51.6 mt -61.37 -36.23 79.65 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.202 179.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.597 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 32.4 tp10 -56.93 -51.57 68.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.874 176.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -66.94 -39.93 87.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -175.676 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.628 HG22 ' HB3' ' A' ' 67' ' ' PRO . 40.3 pt -73.16 -22.92 19.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.597 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -83.16 -23.31 32.98 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.17 174.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 60' ' ' GLU . 88.1 t -78.81 -60.39 2.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.707 175.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -109.71 168.82 9.13 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -78.54 118.12 70.46 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.628 ' HB3' HG22 ' A' ' 62' ' ' ILE . 60.6 Cg_endo -72.97 158.22 50.07 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.875 2.383 . . . . 0.0 112.577 -177.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . 0.497 ' HD2' ' N ' ' A' ' 68' ' ' LYS . 5.5 mptt -111.34 119.82 40.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.324 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 72.39 -49.05 0.69 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.637 0.775 . . . . 0.0 111.977 177.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.521 HG21 HG22 ' A' ' 113' ' ' VAL . 7.6 p -69.92 141.94 16.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.21 0.528 . . . . 0.0 111.089 -178.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -127.19 162.43 26.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.101 -0.704 . . . . 0.0 109.101 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.728 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -64.48 -39.07 93.11 Favored 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.099 -176.57 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -56.26 -34.38 66.34 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.28 0.562 . . . . 0.0 110.329 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . 0.442 ' O ' HG23 ' A' ' 78' ' ' VAL . 73.8 mm-40 -68.43 -47.86 66.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.397 -179.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.33 -39.46 85.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.265 -177.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . 0.728 ' HG2' ' O ' ' A' ' 72' ' ' LYS . 61.5 mm-40 -60.87 -42.48 97.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.455 -177.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.18 -46.96 38.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.398 -177.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.533 HG13 HG13 ' A' ' 106' ' ' VAL . 55.2 t -54.46 -37.87 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.769 -176.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.498 ' HG2' ' HB1' ' A' ' 51' ' ' ALA . 13.7 tmtt? -56.33 -54.15 48.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.426 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . 0.424 ' N ' ' HD3' ' A' ' 79' ' ' LYS . 4.3 m-20 -78.02 -35.3 50.01 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.303 -176.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . 0.449 ' HB3' HG23 ' A' ' 102' ' ' ILE . 6.4 m-20 -56.05 -43.09 77.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.475 175.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -59.54 -46.3 89.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.87 -48.14 72.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.221 -177.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.51 -32.53 73.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.756 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.589 HD12 HG22 ' A' ' 102' ' ' ILE . 5.7 tt -58.49 -51.47 69.75 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 65.6 t -59.31 -45.23 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.405 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.3 tp -59.94 -53.9 52.46 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.441 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . 0.455 HE21 ' HB3' ' A' ' 88' ' ' GLN . 2.7 pt20 -67.25 -19.44 65.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.523 -175.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.4 m -64.66 -40.59 95.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 110.713 176.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -84.41 -48.32 9.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.314 -176.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . 0.43 HG23 ' H ' ' A' ' 93' ' ' HIS . 33.9 m -75.46 -17.53 15.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.534 -176.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 36.3 m80 62.72 33.51 15.43 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.259 0.552 . . . . 0.0 110.849 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . 0.43 ' H ' HG23 ' A' ' 91' ' ' VAL . 79.0 t60 -92.81 46.43 1.23 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.806 0.813 . . . . 0.0 109.695 -178.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.755 HG12 ' HB2' ' A' ' 99' ' ' PHE . 10.1 tp -143.5 152.24 16.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.263 -177.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -84.92 -93.4 0.08 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.908 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -143.99 -80.64 0.19 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.828 0.347 . . . . 0.0 111.702 -177.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 97' ' ' LYS . 37.9 ttmt -61.65 -39.13 90.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.28 -171.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.488 ' O ' HG13 ' A' ' 102' ' ' ILE . 50.8 mtm180 -65.1 -26.86 68.4 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.022 -177.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . 0.755 ' HB2' HG12 ' A' ' 94' ' ' ILE . 76.2 t80 -68.9 -49.7 55.9 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.295 0.569 . . . . 0.0 109.609 176.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 63.5 tttp -62.28 -44.74 95.84 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.219 179.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -56.82 -43.5 81.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.486 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.589 HG22 HD12 ' A' ' 85' ' ' LEU . 71.3 mt -60.43 -42.77 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.199 175.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . 0.578 HG21 ' HB2' ' A' ' 21' ' ' ALA . 23.1 m -62.04 -47.42 84.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.232 0.539 . . . . 0.0 110.469 177.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 100' ' ' LYS . 33.3 mm-40 -60.75 -49.49 77.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.491 -177.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.8 p -61.1 -39.53 90.33 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.765 0.317 . . . . 0.0 111.34 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.533 HG13 HG13 ' A' ' 78' ' ' VAL . 77.4 t -65.13 -56.57 14.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.439 176.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 48.1 mt -56.83 -42.2 79.2 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.917 -178.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -57.45 -50.66 72.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.519 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.482 ' HB ' HG21 ' A' ' 78' ' ' VAL . 25.2 m -70.54 -38.98 74.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.216 -178.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.58 ' HB3' HG12 ' A' ' 14' ' ' ILE . 71.1 mt -56.38 -43.16 78.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.724 0.297 . . . . 0.0 111.137 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -65.0 -35.73 82.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.153 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.2 -37.02 75.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.997 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.521 HG22 HG21 ' A' ' 70' ' ' VAL . 48.3 t -77.48 -46.63 27.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.229 -178.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -56.75 -38.34 72.3 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.583 -178.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.02 -46.97 82.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.837 -178.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -67.15 -40.01 86.63 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.491 0.186 . . . . 0.0 111.411 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 113' ' ' VAL . 80.6 mt -57.34 -46.55 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.037 0.446 . . . . 0.0 110.474 178.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.18 -27.74 61.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.785 178.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -66.11 -53.58 36.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.205 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.461 -177.679 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.502 HD13 ' HA3' ' A' ' 57' ' ' GLY . 43.5 tp . . . . . 0 CA--C 1.53 0.173 0 CA-C-O 121.573 0.702 . . . . 0.0 109.356 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.1 tp -77.63 -53.02 8.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.62 -171.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -64.58 -39.22 93.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 111.805 -175.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' MET . . . . . 0.411 ' HE3' ' HA ' ' A' ' 6' ' ' LEU . 62.7 mtm -59.62 -39.55 84.63 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.634 176.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.521 ' O ' HG13 ' A' ' 14' ' ' ILE . 58.4 m -68.22 -45.53 73.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.286 175.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -55.0 -47.4 74.69 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.448 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . 0.453 ' O ' HG23 ' A' ' 16' ' ' VAL . 53.0 tt0 -64.55 -41.61 96.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.377 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' MET . . . . . 0.429 ' HE1' ' HA ' ' A' ' 51' ' ' ALA . 48.3 ttm -63.11 -40.84 98.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.806 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 10' ' ' THR . 74.9 mt -60.97 -46.38 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.078 0.466 . . . . 0.0 110.425 177.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.3 -46.15 88.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.774 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 12' ' ' GLN . 92.6 t -61.66 -42.62 94.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.172 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.48 -48.87 73.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.835 0.35 . . . . 0.0 110.709 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.51 -47.62 83.53 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.47 178.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -75.76 -24.68 56.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.5 -177.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.54 -44.96 95.81 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 172.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -63.89 -43.76 95.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.975 0.417 . . . . 0.0 110.28 175.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -61.5 -37.44 83.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.177 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -68.73 -39.37 80.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.971 0.415 . . . . 0.0 110.18 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.513 ' HE1' ' HB3' ' A' ' 92' ' ' HIS . 45.5 t80 -64.39 -37.32 87.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.671 175.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 27.4 mt-30 . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.248 176.709 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.556 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 28.2 ttpp . . . . . 0 CA--C 1.538 0.485 0 CA-C-O 119.569 -0.253 . . . . 0.0 111.41 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.556 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 44.4 Cg_endo -67.18 -45.62 3.71 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.768 1.645 . . . . 0.0 112.984 -173.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.64 -38.66 85.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.83 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 42.6 t -62.25 -48.46 88.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.742 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -61.77 -44.73 96.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.327 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.16 -52.3 66.13 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.017 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . 0.447 HD22 ' N ' ' A' ' 47' ' ' ASN . 0.9 OUTLIER -66.99 -32.85 74.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.372 -176.372 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -55.31 -56.3 21.68 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.943 177.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 53' ' ' ARG . 21.9 mt-10 -72.91 -31.32 64.57 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.279 178.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.1 tp -57.24 -51.52 69.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.148 0.499 . . . . 0.0 110.162 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.825 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -68.57 -36.36 78.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.445 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.86 -49.66 69.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.735 0.302 . . . . 0.0 110.859 178.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -58.81 -44.8 90.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.45 178.06 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -60.25 -49.65 76.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.69 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.87 -41.68 92.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.119 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.02 -46.92 86.99 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 120.968 0.413 . . . . 0.0 110.995 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.502 ' HA3' HD13 ' A' ' 6' ' ' LEU . . . -69.36 -36.14 77.65 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.266 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.18 -40.75 86.61 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.803 0.335 . . . . 0.0 111.092 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.423 HD23 HD11 ' A' ' 62' ' ' ILE . 52.5 mt -63.72 -36.02 82.49 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.109 0.481 . . . . 0.0 110.546 176.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -63.79 -45.36 90.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.137 172.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.39 -48.21 82.73 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.245 -177.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ILE . . . . . 0.423 HD11 HD23 ' A' ' 59' ' ' LEU . 38.2 pt -73.09 -8.78 12.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -175.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -82.09 -48.14 11.72 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 176.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.2 t -85.22 -44.23 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.326 -176.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.535 ' HD3' ' OE2' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -101.53 141.4 34.46 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.63 -175.011 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -68.23 119.64 69.08 Favored Pre-proline 0 C--O 1.235 0.324 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.617 172.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -74.23 107.76 2.51 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 123.057 2.505 . . . . 0.0 111.036 176.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -110.16 -36.79 5.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.656 -174.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -102.02 -39.02 7.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.411 HG21 HG22 ' A' ' 113' ' ' VAL . 12.3 p -92.41 158.93 2.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.624 174.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -136.19 158.76 43.65 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -57.77 -49.15 77.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.13 -177.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.21 -39.22 75.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.074 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -63.17 -34.68 78.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.908 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.1 mm -62.81 -44.63 99.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.897 0.379 . . . . 0.0 111.108 -177.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -70.66 -41.34 72.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.063 0.459 . . . . 0.0 109.868 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.06 -45.15 93.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.623 -178.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.493 HG13 HG13 ' A' ' 106' ' ' VAL . 76.8 t -68.58 -41.0 82.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 121.168 -0.213 . . . . 0.0 111.424 -177.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LYS . . . . . 0.825 ' HG3' ' HB1' ' A' ' 51' ' ' ALA . 86.6 tttt -57.41 -44.3 84.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.232 0.539 . . . . 0.0 110.19 177.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.52 -51.36 51.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.017 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -65.08 -28.9 69.77 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.666 -177.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PHE . . . . . 0.406 ' O ' HG23 ' A' ' 86' ' ' VAL . 58.6 t80 -65.47 -50.89 63.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.885 0.374 . . . . 0.0 110.087 177.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.65 -35.09 79.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.459 177.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -60.34 -50.16 74.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.18 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.03 -48.53 73.29 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.485 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 82' ' ' PHE . 58.5 t -59.43 -45.27 93.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.906 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.4 tp -65.09 -48.06 75.03 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.009 0.433 . . . . 0.0 111.035 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -71.74 -15.78 62.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -69.7 -33.55 72.68 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -76.05 -53.39 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.26 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.2 m -85.37 -33.83 8.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' HIS . . . . . 0.513 ' HB3' ' HE1' ' A' ' 24' ' ' TYR . 18.2 p80 37.05 81.48 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.264 1.025 . . . . 0.0 113.601 -177.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -102.07 -0.33 33.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.146 0.498 . . . . 0.0 110.232 173.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 34.7 pt -91.12 158.03 2.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 173.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -83.05 -69.7 0.61 Allowed 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.27 -177.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -164.85 -43.57 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.336 -172.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -61.65 -43.37 98.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.105 -172.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -64.77 -34.42 78.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.622 0.249 . . . . 0.0 111.237 -179.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -64.5 -37.07 86.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.141 -174.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -62.2 -52.16 64.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.316 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -57.91 -45.57 86.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.315 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 77.2 mt -57.13 -50.32 76.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.307 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.2 m -58.42 -45.44 88.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.428 178.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -60.32 -50.31 74.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.579 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.2 t -62.3 -42.75 99.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.142 -176.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.606 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 98.0 t -66.73 -56.95 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.651 179.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.85 -45.37 82.45 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.88 -177.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -57.35 -45.88 83.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.81 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' THR . . . . . 0.468 ' HB ' HG21 ' A' ' 78' ' ' VAL . 25.8 m -69.59 -37.9 77.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 83.3 mt -58.49 -44.55 89.43 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.674 0.273 . . . . 0.0 110.472 177.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -64.99 -34.35 78.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.685 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.47 -41.91 92.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.411 HG22 HG21 ' A' ' 70' ' ' VAL . 55.2 t -72.06 -47.98 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.126 0.489 . . . . 0.0 109.84 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' LYS . . . . . 0.436 ' HD3' ' C ' ' A' ' 114' ' ' LYS . 1.3 tmtp? -59.33 -42.91 92.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.375 -178.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -63.53 -47.59 80.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.273 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 21.4 mt-10 -61.57 -45.73 92.88 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 121.221 -0.192 . . . . 0.0 110.924 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 113' ' ' VAL . 84.1 mt -57.44 -50.33 77.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.957 0.408 . . . . 0.0 110.92 177.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.43 -11.76 60.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.574 -177.593 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -92.85 -53.04 4.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.188 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.535 ' OE2' ' HD3' ' A' ' 65' ' ' ARG . 5.2 mm-40 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.741 -176.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 69.3 mtm . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 120.792 0.329 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 49.3 tp -103.51 92.12 4.33 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 108.463 -0.94 . . . . 0.0 108.463 171.799 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.3 m -129.13 131.1 47.16 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.725 -170.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -90.21 82.09 6.05 Favored 'General case' 0 C--N 1.324 -0.522 0 N-CA-C 108.42 -0.956 . . . . 0.0 108.42 170.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 20.7 p -54.16 -59.05 5.17 Favored 'General case' 0 C--N 1.328 -0.363 0 N-CA-C 113.045 0.757 . . . . 0.0 113.045 -169.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 33.0 tp -62.74 -30.12 71.19 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.045 0.45 . . . . 0.0 111.115 -176.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.646 HD21 ' HG2' ' A' ' 114' ' ' LYS . 1.7 tm? -72.45 -47.92 45.08 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -60.59 -39.58 88.6 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.59 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 77.1 mtp -57.59 -44.03 85.06 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.425 175.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.449 ' O ' HG13 ' A' ' 14' ' ' ILE . 30.9 m -66.21 -49.39 67.45 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.618 178.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.6 mm-40 -52.99 -41.15 64.33 Favored 'General case' 0 C--O 1.235 0.296 0 CA-C-O 120.852 0.358 . . . . 0.0 111.443 175.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.413 ' O ' HG23 ' A' ' 16' ' ' VAL . 52.7 tp60 -63.2 -46.17 88.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.009 -0.542 . . . . 0.0 110.687 177.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 90.1 mtp -63.11 -34.36 77.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.973 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 10' ' ' THR . 83.8 mt -61.98 -42.55 95.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.489 176.147 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 20.3 tt0 -66.6 -43.07 85.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.634 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.565 ' HB ' ' HZ ' ' A' ' 82' ' ' PHE . 58.5 t -61.41 -42.4 93.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.561 0.219 . . . . 0.0 110.624 179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.69 -51.38 70.18 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.792 177.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -65.48 -32.94 74.82 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.723 178.11 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 26.2 mttp -63.63 -45.68 89.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.583 0.23 . . . . 0.0 110.701 175.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.24 -41.08 96.99 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.958 -0.639 . . . . 0.0 111.845 178.019 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.421 ' HA ' ' HE2' ' A' ' 99' ' ' PHE . . . -65.39 -42.12 92.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.905 0.384 . . . . 0.0 110.586 177.5 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -66.16 -38.95 89.31 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.597 177.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.424 HH11 ' HD3' ' A' ' 23' ' ' ARG . 0.6 OUTLIER -57.52 -47.47 81.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.433 -179.636 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -75.46 -33.7 60.87 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.949 178.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -57.71 -53.01 62.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.945 -0.571 . . . . 0.0 111.305 -178.275 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -82.85 -41.4 19.05 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.34 -177.811 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -44.87 85.11 0.01 OUTLIER Glycine 0 C--N 1.344 0.973 0 O-C-N 124.645 1.216 . . . . 0.0 114.705 -171.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 86.7 tttt 169.81 -34.18 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 -176.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 9.6 t30 -78.88 -54.2 6.3 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 114.954 -1.021 . . . . 0.0 110.392 -179.691 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 4.8 m -86.55 152.0 23.0 Favored 'General case' 0 C--O 1.24 0.554 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.876 178.178 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -69.23 107.54 3.28 Favored 'General case' 0 C--N 1.33 -0.268 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 174.173 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 28.3 p-80 -111.79 97.99 7.08 Favored 'General case' 0 C--N 1.32 -0.709 0 CA-C-O 121.388 0.613 . . . . 0.0 111.065 -174.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 13.9 p -102.7 123.78 47.02 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 115.542 -0.754 . . . . 0.0 110.584 178.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 53.4 p90 -145.81 159.12 43.65 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.49 -0.323 . . . . 0.0 110.384 178.344 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -120.9 136.2 55.0 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 109.604 -0.517 . . . . 0.0 109.604 177.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.585 ' HA ' HD12 ' A' ' 40' ' ' ILE . 58.4 t80 -84.93 75.5 10.36 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.579 -177.531 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.432 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 54.3 t80 -173.33 -52.79 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.351 175.648 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.9 tt0 -64.18 -73.76 0.11 Allowed 'General case' 0 CA--C 1.531 0.231 0 N-CA-C 112.728 0.64 . . . . 0.0 112.728 -172.419 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.6 t -83.05 -14.29 54.15 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.93 0.395 . . . . 0.0 111.78 -172.672 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.585 HD12 ' HA ' ' A' ' 36' ' ' PHE . 46.1 mt -89.79 -24.94 5.71 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 C-N-CA 120.798 -0.361 . . . . 0.0 111.421 -175.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.499 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 28.5 tptp -56.61 -54.95 48.14 Favored Pre-proline 0 CA--C 1.537 0.468 0 CA-C-N 116.876 -0.147 . . . . 0.0 111.241 179.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.616 ' O ' ' HG2' ' A' ' 46' ' ' GLU . 44.0 Cg_endo -69.41 -34.52 15.56 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.84 1.693 . . . . 0.0 112.278 177.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.29 -38.98 74.79 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.484 -177.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 40' ' ' ILE . 86.4 t -63.65 -45.91 96.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.425 177.14 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 58.7 mm-40 -60.94 -45.08 96.13 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.481 -178.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.616 ' HG2' ' O ' ' A' ' 42' ' ' PRO . 5.6 mm-40 -55.62 -57.2 12.97 Favored 'General case' 0 N--CA 1.447 -0.625 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.836 179.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 41.8 m-80 -63.03 -39.0 93.43 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.617 -0.72 . . . . 0.0 111.56 -179.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.4 t70 -58.32 -50.14 74.67 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-O 120.864 0.364 . . . . 0.0 110.823 178.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.83 -40.51 88.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.055 -0.521 . . . . 0.0 111.151 176.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.8 tp -58.19 -53.78 54.46 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-N 115.567 -0.742 . . . . 0.0 110.926 -177.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.673 ' HB1' ' HG2' ' A' ' 79' ' ' LYS . . . -62.16 -42.02 98.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.665 -0.698 . . . . 0.0 110.966 -178.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.94 -41.73 99.59 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.994 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -71.79 -42.61 66.9 Favored 'General case' 0 N--CA 1.437 -1.114 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.769 -178.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 81.2 t90 -62.19 -47.62 83.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.773 -179.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -55.8 -46.47 78.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.77 -45.84 85.38 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.987 179.474 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.26 -44.35 60.02 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.511 -0.852 . . . . 0.0 112.734 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.99 99.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.721 0.296 . . . . 0.0 111.036 -179.661 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.1 mt -61.15 -36.41 79.73 Favored 'General case' 0 N--CA 1.45 -0.436 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.935 178.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -67.35 -46.85 72.15 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.965 -0.562 . . . . 0.0 109.924 177.562 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.62 -46.58 88.57 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.828 -177.148 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.804 ' HB ' ' HD3' ' A' ' 67' ' ' PRO . 40.5 pt -71.64 -17.61 19.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.881 0.372 . . . . 0.0 111.19 -178.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -81.13 -40.73 23.55 Favored 'General case' 0 N--CA 1.45 -0.426 0 N-CA-C 109.935 -0.395 . . . . 0.0 109.935 175.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 77.3 t -68.49 -52.38 37.16 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.903 0.383 . . . . 0.0 110.319 176.8 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.507 ' HA ' ' HE ' ' A' ' 65' ' ' ARG . 0.3 OUTLIER -87.27 -106.14 0.07 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.107 -0.497 . . . . 0.0 109.774 178.682 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.735 ' HA ' ' HE ' ' A' ' 66' ' ' ARG . 0.1 OUTLIER 172.91 123.69 0.08 OUTLIER Pre-proline 0 C--N 1.332 -0.191 0 N-CA-C 109.041 -0.726 . . . . 0.0 109.041 178.215 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.804 ' HD3' ' HB ' ' A' ' 62' ' ' ILE . 24.7 Cg_endo -63.37 103.05 0.35 Allowed 'Trans proline' 0 C--O 1.238 0.486 0 C-N-CA 122.326 2.018 . . . . 0.0 111.91 179.421 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 63.5 tttp -93.23 -53.26 4.18 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.792 -177.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -96.89 -37.96 10.02 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.466 -178.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.6 p -79.31 152.29 4.83 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-O 121.024 0.44 . . . . 0.0 110.524 179.088 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.47 ' HD2' ' HB3' ' A' ' 73' ' ' GLU . 7.2 t60 -107.67 132.37 53.4 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.777 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -58.15 -48.94 78.72 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-O 120.594 0.235 . . . . 0.0 111.261 -174.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.47 ' HB3' ' HD2' ' A' ' 71' ' ' HIS . 29.5 tt0 -52.54 -37.52 57.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.96 -0.563 . . . . 0.0 110.877 175.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 75.6 mm-40 -67.45 -37.41 82.91 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.13 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.463 HD12 HD13 ' A' ' 62' ' ' ILE . 71.4 mt -63.28 -45.31 98.63 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-O 121.116 0.484 . . . . 0.0 109.941 176.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -66.75 -34.93 78.92 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.426 179.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -73.76 -46.82 43.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.664 -0.698 . . . . 0.0 111.406 -179.102 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.433 ' O ' ' HB2' ' A' ' 82' ' ' PHE . 40.7 t -57.97 -40.39 76.36 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.336 0 CA-C-N 116.827 -0.17 . . . . 0.0 111.381 -178.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.673 ' HG2' ' HB1' ' A' ' 51' ' ' ALA . 13.3 tmtt? -53.99 -49.06 69.68 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.322 0.582 . . . . 0.0 110.912 177.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -76.43 -45.91 29.37 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.562 -0.744 . . . . 0.0 111.441 -176.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 91.2 m-20 -64.21 -31.64 72.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.19 -178.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.565 ' HZ ' ' HB ' ' A' ' 16' ' ' VAL . 44.1 t80 -64.56 -39.09 93.11 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.797 0.332 . . . . 0.0 110.347 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 65.4 mt -64.78 -42.96 94.67 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.086 -0.507 . . . . 0.0 110.643 178.753 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -70.38 -30.48 67.4 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.829 177.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.457 HD12 HG22 ' A' ' 102' ' ' ILE . 6.6 tt -60.31 -53.16 60.94 Favored 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 109.881 -0.414 . . . . 0.0 109.881 177.317 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.4 t -59.04 -43.07 88.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.456 178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.511 ' O ' HG22 ' A' ' 91' ' ' VAL . 58.1 tp -58.9 -58.85 6.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.837 -0.62 . . . . 0.0 110.873 179.153 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.435 ' HB3' ' HB ' ' A' ' 94' ' ' ILE . 2.5 mp0 -62.75 -27.37 69.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.056 -0.52 . . . . 0.0 112.026 -176.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.4 t -61.72 -44.16 97.47 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.936 0.398 . . . . 0.0 110.932 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 86.1 m-85 -90.43 -37.95 13.6 Favored 'General case' 0 C--N 1.326 -0.414 0 N-CA-C 112.186 0.439 . . . . 0.0 112.186 -175.568 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.511 HG22 ' O ' ' A' ' 87' ' ' LEU . 21.2 m -81.29 -16.09 12.33 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 120.603 -0.439 . . . . 0.0 111.568 -177.461 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 57.3 m170 65.26 26.56 12.21 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 122.797 0.439 . . . . 0.0 111.543 175.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.473 ' H ' HG23 ' A' ' 91' ' ' VAL . 77.0 t60 -76.26 -12.74 60.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.172 0.511 . . . . 0.0 110.362 178.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.76 HG12 ' HB2' ' A' ' 99' ' ' PHE . 10.1 tp -84.49 151.39 3.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 CA-C-N 116.075 -0.511 . . . . 0.0 109.675 178.103 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 35.0 t-80 -87.28 -76.96 0.35 Allowed 'General case' 0 C--N 1.329 -0.308 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.135 -179.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.4 mmtt -153.76 -76.07 0.12 Allowed 'General case' 0 N--CA 1.465 0.309 0 CA-C-O 120.992 0.425 . . . . 0.0 112.047 -176.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 72.6 mmtt -64.35 -36.75 85.14 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 113.068 0.766 . . . . 0.0 113.068 -167.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 46.8 mtt180 -68.64 -29.65 68.19 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.98 -0.288 . . . . 0.0 111.607 -177.378 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.76 ' HB2' HG12 ' A' ' 94' ' ' ILE . 47.7 t80 -66.77 -46.79 74.21 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.159 0.504 . . . . 0.0 110.21 -178.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -73.2 -29.01 62.52 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.204 178.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -68.12 -48.94 64.06 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.518 -0.31 . . . . 0.0 110.253 179.154 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.471 ' O ' HG23 ' A' ' 106' ' ' VAL . 80.6 mt -59.86 -46.72 93.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.219 176.501 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 38.4 m -57.97 -44.62 87.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.884 0.373 . . . . 0.0 110.584 178.408 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -61.53 -45.13 95.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.018 -0.537 . . . . 0.0 111.585 177.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 58.7 m -63.47 -38.91 92.96 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.625 0.25 . . . . 0.0 111.081 177.75 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 102' ' ' ILE . 72.3 t -65.29 -52.03 57.44 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.181 0 CA-C-N 116.675 -0.239 . . . . 0.0 110.415 177.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 88.7 mt -57.37 -43.94 83.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.418 -0.356 . . . . 0.0 110.948 178.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 56.8 t80 -54.97 -54.32 44.31 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.747 -0.66 . . . . 0.0 110.982 175.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.504 ' O ' HG23 ' A' ' 113' ' ' VAL . 46.7 m -63.13 -44.87 94.37 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.408 -177.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.445 HD22 HG23 ' A' ' 10' ' ' THR . 86.8 mt -61.01 -38.62 86.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.247 -179.197 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 10.8 m170 -64.8 -37.0 86.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.833 178.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.7 -40.73 76.12 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.523 179.652 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.544 ' O ' HG13 ' A' ' 117' ' ' ILE . 61.9 t -68.33 -43.16 84.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-O 121.195 0.522 . . . . 0.0 109.616 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.646 ' HG2' HD21 ' A' ' 7' ' ' LEU . 0.4 OUTLIER -54.42 -40.29 68.14 Favored 'General case' 0 C--O 1.235 0.293 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.55 179.569 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.409 ' O ' ' HB2' ' A' ' 119' ' ' ARG . 22.3 t70 -65.38 -51.82 57.79 Favored 'General case' 0 CA--C 1.516 -0.339 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.85 178.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -69.9 -26.79 64.33 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 112.121 0.415 . . . . 0.0 112.121 -174.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 113' ' ' VAL . 75.2 mt -63.13 -50.7 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.235 0 CA-C-O 121.133 0.492 . . . . 0.0 110.004 172.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.47 -18.76 60.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.503 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.409 ' HB2' ' O ' ' A' ' 115' ' ' ASP . 13.2 ttt85 -72.13 -31.15 65.73 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.27 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -84.29 -43.21 15.04 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.379 -0.6 . . . . 0.0 109.379 171.548 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 35.5 t70 73.04 123.98 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.422 0 CA-C-N 115.342 -0.844 . . . . 0.0 111.188 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.4 p -89.88 151.32 21.8 Favored 'General case' 0 C--N 1.32 -0.688 0 CA-C-N 115.655 -0.702 . . . . 0.0 111.872 -173.718 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 27.9 ptt180 . . . . . 0 C--N 1.325 -0.462 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 174.109 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 ttt . . . . . 0 N--CA 1.481 1.112 0 N-CA-C 111.341 0.126 . . . . 0.0 111.341 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.445 HD23 ' N ' ' A' ' 3' ' ' SER . 3.4 tt -63.78 127.11 29.94 Favored 'General case' 0 C--O 1.233 0.201 0 CA-C-O 121.1 0.476 . . . . 0.0 109.896 -177.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.537 ' HB3' ' HA ' ' A' ' 8' ' ' GLU . 14.8 m -76.55 86.51 3.25 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.854 -0.612 . . . . 0.0 111.35 -177.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 32.6 mm-40 -143.53 177.23 8.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.529 174.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.411 ' HB ' ' H ' ' A' ' 6' ' ' LEU . 4.9 m 62.34 -98.52 0.08 Allowed 'General case' 0 CA--C 1.535 0.371 0 O-C-N 123.514 0.509 . . . . 0.0 111.013 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.411 ' H ' ' HB ' ' A' ' 5' ' ' THR . 43.6 tp -120.95 -6.32 9.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 121.609 0.719 . . . . 0.0 109.171 177.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -69.25 -45.23 70.24 Favored 'General case' 0 C--O 1.222 -0.391 0 CA-C-N 115.307 -0.86 . . . . 0.0 110.011 -176.326 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.537 ' HA ' ' HB3' ' A' ' 3' ' ' SER . 3.5 tm-20 -57.05 -50.49 72.59 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 120.975 0.416 . . . . 0.0 110.364 -179.826 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 57.4 mtp -59.13 -34.96 72.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.123 -178.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.501 ' O ' HG13 ' A' ' 14' ' ' ILE . 30.8 m -72.96 -49.07 31.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.27 176.669 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -54.54 -42.13 70.56 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.032 -0.531 . . . . 0.0 111.625 177.398 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.411 ' O ' HG23 ' A' ' 16' ' ' VAL . 7.0 tm0? -63.17 -44.96 93.98 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.257 -0.429 . . . . 0.0 109.857 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.461 ' SD ' HD21 ' A' ' 110' ' ' LEU . 50.9 ttm -61.77 -39.3 91.18 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.628 177.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.501 HG13 ' O ' ' A' ' 10' ' ' THR . 66.1 mt -63.68 -43.82 98.21 Favored 'Isoleucine or valine' 0 C--O 1.233 0.219 0 CA-C-O 120.94 0.4 . . . . 0.0 110.594 176.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -60.23 -46.01 91.26 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.009 -179.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.411 HG23 ' O ' ' A' ' 12' ' ' GLN . 70.5 t -62.84 -41.86 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.724 178.626 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.51 -52.03 66.92 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.863 178.312 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 2.1 tm-20 -55.55 -54.99 37.1 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.443 177.317 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.58 ' HA ' ' HB3' ' A' ' 22' ' ' ASP . 2.3 mptp? -70.64 -20.58 62.71 Favored 'General case' 0 C--N 1.329 -0.322 0 N-CA-C 112.341 0.497 . . . . 0.0 112.341 -174.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.42 -48.44 44.64 Favored Glycine 0 N--CA 1.449 -0.454 0 C-N-CA 120.239 -0.981 . . . . 0.0 111.213 174.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.404 ' HA ' ' HE1' ' A' ' 99' ' ' PHE . . . -67.63 -35.33 78.72 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.106 0.479 . . . . 0.0 109.918 175.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.58 ' HB3' ' HA ' ' A' ' 19' ' ' LYS . 23.3 t70 -58.0 -46.9 84.49 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.317 -0.856 . . . . 0.0 110.602 175.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -70.21 -35.0 73.6 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.76 -0.654 . . . . 0.0 110.517 -179.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 55.9 t80 -66.73 -35.93 81.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.146 0.498 . . . . 0.0 109.946 177.595 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.4 tt0 -64.91 -45.46 85.76 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.097 176.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 12.3 tp10 -64.77 -57.36 9.14 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.232 178.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 111.87 -114.24 3.53 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.692 -0.766 . . . . 0.0 113.185 176.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -116.54 -36.96 3.81 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 111.622 0.23 . . . . 0.0 111.622 -174.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.5 t30 65.61 -78.96 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.4 0 O-C-N 123.823 0.702 . . . . 0.0 109.974 -172.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.8 t -165.8 122.0 1.34 Allowed 'General case' 0 C--N 1.321 -0.638 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 178.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 14.3 m120 -79.33 88.03 4.98 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.971 0.415 . . . . 0.0 110.133 179.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 58.4 t60 -106.88 87.56 2.54 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.13 -0.693 . . . . 0.0 109.13 175.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 18.3 m 63.33 94.29 0.05 Allowed 'General case' 0 CA--C 1.532 0.272 0 O-C-N 123.799 0.687 . . . . 0.0 111.089 -178.471 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 87.7 t80 -156.52 129.57 7.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.714 -0.675 . . . . 0.0 110.437 -175.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -146.49 155.14 42.32 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.309 177.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.49 ' HA ' HD12 ' A' ' 40' ' ' ILE . 60.0 t80 -71.43 -48.19 51.1 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.209 -177.563 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -79.38 -16.47 56.17 Favored 'General case' 0 C--N 1.323 -0.586 0 N-CA-C 111.968 0.359 . . . . 0.0 111.968 -170.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -79.53 -30.21 41.75 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -177.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.417 HG23 HG13 ' A' ' 40' ' ' ILE . 11.3 t -131.21 -25.61 2.2 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 112.879 0.696 . . . . 0.0 112.879 -175.242 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.49 HD12 ' HA ' ' A' ' 36' ' ' PHE . 26.6 mt -95.11 -4.3 10.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 121.339 0.59 . . . . 0.0 110.841 -173.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.468 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 25.6 ttpp -53.03 -55.34 34.62 Favored Pre-proline 0 CA--C 1.543 0.693 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.484 -178.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.468 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 57.8 Cg_endo -72.01 -16.31 28.99 Favored 'Trans proline' 0 C--N 1.354 0.819 0 C-N-CA 121.884 1.723 . . . . 0.0 112.885 -178.46 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.35 -34.43 68.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.008 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 46.2 t -63.52 -36.26 75.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.391 179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 14.7 mm-40 -65.84 -48.63 71.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.636 179.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -54.86 -59.74 4.31 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-N 115.153 -0.93 . . . . 0.0 110.835 -177.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 50.8 m-80 -59.79 -36.09 75.99 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.004 -175.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.536 ' HA ' HD21 ' A' ' 83' ' ' LEU . 30.2 t70 -64.87 -52.16 58.09 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.505 0.193 . . . . 0.0 110.775 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 65.8 mm-40 -61.87 -39.16 90.93 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 121.061 0.458 . . . . 0.0 110.767 176.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.2 tp -59.28 -53.24 60.54 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.488 -179.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.37 -38.17 90.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.071 -178.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.519 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . . . -61.39 -54.64 41.01 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.074 179.566 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.41 -33.32 74.94 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.416 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 80.3 t90 -62.12 -50.62 71.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.553 -0.294 . . . . 0.0 110.493 178.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.35 -44.5 97.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -60.2 -42.53 95.3 Favored 'General case' 0 N--CA 1.432 -1.349 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.13 179.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -67.92 -42.36 85.91 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.103 177.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -60.78 -42.25 97.14 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.782 0.325 . . . . 0.0 110.851 178.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.452 HD23 HD11 ' A' ' 62' ' ' ILE . 71.5 mt -61.78 -41.18 97.39 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.928 178.053 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.632 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 10.3 tp10 -60.83 -44.16 97.31 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.36 0.6 . . . . 0.0 110.501 177.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.54 -45.64 82.64 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.586 -179.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.722 ' HB ' ' HD3' ' A' ' 67' ' ' PRO . 44.4 pt -74.91 -20.09 16.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 N-CA-C 112.325 0.491 . . . . 0.0 112.325 -174.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.632 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -79.9 -28.28 39.85 Favored 'General case' 0 C--O 1.233 0.231 0 C-N-CA 120.293 -0.563 . . . . 0.0 109.912 176.517 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.4 t -79.62 -49.72 19.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 121.205 0.526 . . . . 0.0 110.131 173.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.543 ' O ' ' HA ' ' A' ' 62' ' ' ILE . 37.8 mtp85 -126.79 121.06 30.87 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.794 178.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.44 HH11 ' HD3' ' A' ' 66' ' ' ARG . 48.2 mtt-85 -52.44 139.97 36.73 Favored Pre-proline 0 C--O 1.236 0.346 0 CA-C-N 115.711 -0.677 . . . . 0.0 112.696 -171.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.722 ' HD3' ' HB ' ' A' ' 62' ' ' ILE . 42.3 Cg_endo -68.38 119.37 6.37 Favored 'Trans proline' 0 C--O 1.235 0.327 0 C-N-CA 122.871 2.381 . . . . 0.0 111.205 174.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 28.1 mttp -93.78 -64.57 1.07 Allowed 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.746 -173.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 73.5 m-85 -80.62 -53.15 6.8 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.013 0.435 . . . . 0.0 110.886 177.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.567 ' O ' ' HB2' ' A' ' 67' ' ' PRO . 14.8 p -78.29 150.97 5.32 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.246 -179.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 90.8 m-70 -114.77 154.55 28.34 Favored 'General case' 0 C--N 1.323 -0.545 0 N-CA-C 109.233 -0.654 . . . . 0.0 109.233 178.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.1 pttt -64.85 -33.59 76.36 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.921 -0.4 . . . . 0.0 109.921 -179.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -54.42 -44.14 72.13 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.09 174.485 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.406 ' O ' HG23 ' A' ' 78' ' ' VAL . 83.6 mm-40 -67.77 -44.02 78.43 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 115.258 -0.883 . . . . 0.0 110.771 -179.748 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.0 mt -60.12 -42.56 90.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.816 0.341 . . . . 0.0 111.11 -179.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -71.1 -33.59 70.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.961 0.41 . . . . 0.0 110.737 -178.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -76.41 -43.58 39.76 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.585 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.424 HG21 HG21 ' A' ' 109' ' ' THR . 50.7 t -62.41 -35.15 68.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 N-CA-C 111.567 0.21 . . . . 0.0 111.567 -176.041 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.519 ' HE3' ' HA ' ' A' ' 52' ' ' ALA . 78.0 tttt -57.37 -47.56 81.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 121.073 0.464 . . . . 0.0 110.11 176.278 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -66.59 -43.44 84.88 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.353 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.478 ' O ' ' HB2' ' A' ' 85' ' ' LEU . 91.0 m-20 -62.99 -34.58 77.84 Favored 'General case' 0 C--O 1.224 -0.279 0 CA-C-N 115.884 -0.598 . . . . 0.0 111.262 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.428 ' CE1' ' HG3' ' A' ' 13' ' ' MET . 51.5 t80 -66.99 -50.02 63.56 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.604 0.24 . . . . 0.0 110.788 -179.526 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.536 HD21 ' HA ' ' A' ' 48' ' ' ASP . 79.3 mt -63.63 -39.53 94.59 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.783 0.325 . . . . 0.0 110.389 178.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.44 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 5.8 mm-40 -62.75 -42.86 99.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.718 174.861 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.533 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 1.0 OUTLIER -57.92 -43.69 86.42 Favored 'General case' 0 C--N 1.332 -0.171 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.36 -178.841 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.41 HG23 ' O ' ' A' ' 82' ' ' PHE . 88.1 t -57.01 -49.36 79.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.509 177.412 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.526 ' O ' HG22 ' A' ' 91' ' ' VAL . 45.2 tp -67.21 -45.58 76.39 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.422 -177.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.533 ' HG2' ' HA ' ' A' ' 85' ' ' LEU . 20.5 pt20 -67.66 -21.2 65.37 Favored 'General case' 0 C--N 1.331 -0.23 0 N-CA-C 111.599 0.222 . . . . 0.0 111.599 -175.799 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 67.3 m -71.27 -23.91 62.06 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.607 0.241 . . . . 0.0 111.164 177.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 53.6 m-85 -101.33 -57.86 2.0 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.968 -0.293 . . . . 0.0 111.425 -179.36 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 87' ' ' LEU . 33.3 m -76.27 -17.83 15.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.735 0.302 . . . . 0.0 111.647 -175.531 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 30.7 m170 57.82 43.12 22.24 Favored 'General case' 0 N--CA 1.466 0.35 0 CA-C-N 115.898 -0.592 . . . . 0.0 112.006 175.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.6 p-80 -80.53 26.11 0.4 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.129 0.49 . . . . 0.0 111.296 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.468 HG22 ' HB2' ' A' ' 88' ' ' GLN . 18.2 tt -154.81 152.25 9.61 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 N-CA-C 108.706 -0.85 . . . . 0.0 108.706 -178.696 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 44.7 m-70 -100.58 171.38 7.76 Favored 'General case' 0 C--N 1.323 -0.557 0 C-N-CA 120.755 -0.378 . . . . 0.0 111.839 -175.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 45.1 mttp -47.76 -54.74 11.36 Favored 'General case' 0 N--CA 1.47 0.551 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.88 -171.118 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 78.5 tttt -60.87 -43.63 98.15 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.813 -0.631 . . . . 0.0 111.568 -169.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.423 ' HD2' HH11 ' A' ' 98' ' ' ARG . 27.8 mtp85 -79.06 -31.77 44.58 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.574 -0.285 . . . . 0.0 110.496 -178.385 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.404 ' HE1' ' HA ' ' A' ' 21' ' ' ALA . 49.2 t80 -61.74 -47.84 83.44 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-O 121.23 0.538 . . . . 0.0 110.39 178.772 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 7.8 tmtt? -65.01 -41.2 95.56 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.497 -0.774 . . . . 0.0 110.436 -177.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -68.71 -39.04 80.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.993 -177.228 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.475 ' O ' HG23 ' A' ' 106' ' ' VAL . 43.1 mt -61.25 -44.99 99.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.033 174.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 28.2 m -57.66 -46.03 84.76 Favored 'General case' 0 CA--C 1.532 0.262 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.414 176.565 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 62.2 mm-40 -56.19 -49.14 74.89 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.011 -0.54 . . . . 0.0 111.304 176.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.5 m -59.16 -41.14 87.66 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.036 -0.529 . . . . 0.0 111.226 -179.079 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 102' ' ' ILE . 69.9 t -67.6 -50.0 65.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.352 -0.385 . . . . 0.0 110.378 178.059 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 67.0 mt -58.77 -43.92 90.49 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.354 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.0 t80 -53.68 -52.34 60.33 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.972 0.415 . . . . 0.0 110.726 176.369 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.424 HG21 HG21 ' A' ' 78' ' ' VAL . 32.1 m -63.41 -42.58 98.74 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 115.771 -0.65 . . . . 0.0 111.31 -178.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.501 HD13 HG12 ' A' ' 14' ' ' ILE . 91.9 mt -61.93 -37.47 84.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.581 -178.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 57.9 m170 -64.77 -41.62 95.72 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.141 0.496 . . . . 0.0 109.887 177.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.32 -39.57 92.63 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.491 -0.777 . . . . 0.0 110.592 -177.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.577 ' O ' HG13 ' A' ' 117' ' ' ILE . 99.8 t -69.57 -45.78 77.23 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.09 -0.504 . . . . 0.0 109.932 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 31.9 ttpt -56.92 -49.03 76.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.515 -178.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -65.89 -37.5 86.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.976 -177.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.676 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 18.2 mm-40 -63.57 -43.46 96.94 Favored 'General case' 0 C--O 1.225 -0.192 0 CA-C-N 116.464 -0.335 . . . . 0.0 110.819 177.129 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.577 HG13 ' O ' ' A' ' 113' ' ' VAL . 86.7 mt -55.02 -51.89 49.4 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 CA-C-O 120.968 0.413 . . . . 0.0 110.875 179.767 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.24 -27.51 65.52 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.018 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 73.4 ttt180 -68.73 -51.56 40.15 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.932 179.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.676 ' HG2' ' O ' ' A' ' 116' ' ' GLU . 3.3 mm-40 -65.95 -38.06 87.64 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.69 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 38.9 t70 72.36 135.81 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.553 0 CA-C-N 115.306 -0.861 . . . . 0.0 112.631 171.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.0 t -164.13 98.7 0.84 Allowed 'General case' 0 N--CA 1.454 -0.246 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.206 177.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 3.1 mmp_? . . . . . 0 C--N 1.326 -0.416 0 CA-C-O 121.32 0.581 . . . . 0.0 109.721 177.311 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.3 ptm . . . . . 0 N--CA 1.48 1.042 0 CA-C-O 120.596 0.236 . . . . 0.0 110.941 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 61.6 tp -75.22 116.67 16.21 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.985 0.421 . . . . 0.0 110.912 -178.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 p -107.18 148.45 28.86 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.585 178.1 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.445 ' HG3' HD23 ' A' ' 7' ' ' LEU . 2.3 mp0 56.93 80.04 0.17 Allowed 'General case' 0 N--CA 1.467 0.401 0 CA-C-O 121.169 0.509 . . . . 0.0 111.324 -178.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.1 p -70.85 -44.3 66.72 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.677 -0.692 . . . . 0.0 112.093 -175.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 35.8 tp -131.75 -15.39 3.08 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.989 0.423 . . . . 0.0 110.337 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.445 HD23 ' HG3' ' A' ' 4' ' ' GLN . 54.8 tp -57.64 -53.54 56.97 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.489 -177.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -65.02 -36.57 84.81 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-O 120.622 0.249 . . . . 0.0 110.92 -177.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 81.5 mtp -59.55 -43.51 93.53 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-O 121.078 0.466 . . . . 0.0 110.556 178.075 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.492 ' O ' HG13 ' A' ' 14' ' ' ILE . 23.9 m -67.57 -47.4 69.9 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.462 178.409 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -56.28 -46.27 79.8 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.199 178.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.473 ' O ' HG23 ' A' ' 16' ' ' VAL . 64.8 tt0 -63.74 -41.41 98.05 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 49.9 ttm -62.16 -39.44 92.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.765 0.317 . . . . 0.0 110.317 178.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 10' ' ' THR . 77.2 mt -59.75 -50.94 78.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.175 175.633 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 26.2 tt0 -59.02 -46.8 87.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.243 -178.689 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.473 HG23 ' O ' ' A' ' 12' ' ' GLN . 93.5 t -59.01 -43.46 89.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 120.787 0.327 . . . . 0.0 110.8 179.54 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.04 -46.7 83.25 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.766 179.148 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -63.53 -42.42 98.44 Favored 'General case' 0 N--CA 1.45 -0.469 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.394 179.485 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 93.7 mttt -68.85 -33.21 73.44 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.701 0.286 . . . . 0.0 110.906 178.155 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -67.27 -40.44 92.11 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.564 175.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.498 ' HA ' ' CE2' ' A' ' 99' ' ' PHE . . . -65.26 -41.65 94.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.074 0.464 . . . . 0.0 110.476 176.307 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.5 -38.03 88.31 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.568 176.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.5 ttm180 -70.56 -34.21 71.97 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.935 179.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 65.7 t80 -71.18 -35.4 71.58 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 174.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -63.29 -43.59 97.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.339 -0.846 . . . . 0.0 110.564 177.089 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 2.5 mm-40 -67.92 -34.62 76.96 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.914 -0.585 . . . . 0.0 111.035 176.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 80.97 -58.57 4.8 Favored Glycine 0 N--CA 1.45 -0.416 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -176.394 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -96.34 175.92 6.25 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 108.729 -0.841 . . . . 0.0 108.729 174.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.8 t-20 -168.47 -168.3 0.9 Allowed 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 18.0 m -64.99 -28.2 69.35 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.867 0.365 . . . . 0.0 110.719 -179.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.522 HD21 ' HB3' ' A' ' 34' ' ' TYR . 2.8 t-20 -79.4 97.48 6.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.175 0.512 . . . . 0.0 109.714 176.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 32.5 t-80 -102.54 -37.69 7.87 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.604 -0.725 . . . . 0.0 110.691 -177.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 48.8 m -105.07 117.86 35.07 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.329 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.522 ' HB3' HD21 ' A' ' 31' ' ' ASN . 26.5 p90 -172.71 163.03 5.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.819 -178.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -158.4 92.9 1.18 Allowed 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.308 -0.406 . . . . 0.0 109.997 170.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 73.4 t80 62.78 -78.95 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 115.351 -0.841 . . . . 0.0 112.783 178.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -80.54 30.43 0.3 Allowed 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.282 0.563 . . . . 0.0 112.041 -168.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -116.92 -61.67 1.69 Allowed 'General case' 0 C--N 1.319 -0.719 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 173.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.55 ' HB ' HD12 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -75.46 -43.72 48.03 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.463 -0.79 . . . . 0.0 110.168 177.28 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.55 HD12 ' HB ' ' A' ' 39' ' ' THR . 4.4 mp -91.31 81.72 1.81 Allowed 'Isoleucine or valine' 0 N--CA 1.451 -0.397 0 CA-C-N 115.412 -0.813 . . . . 0.0 109.734 -178.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.618 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 69.6 tttt -163.34 -60.24 0.01 OUTLIER Pre-proline 0 CA--C 1.538 0.482 0 CA-C-N 115.455 -0.793 . . . . 0.0 111.065 177.449 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.618 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 2.6 Cg_exo -75.62 -52.25 0.1 Allowed 'Trans proline' 0 C--N 1.358 1.053 0 C-N-CA 121.797 1.665 . . . . 0.0 112.191 -174.777 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.89 -39.95 91.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.181 -178.077 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.451 HG21 HG23 ' A' ' 40' ' ' ILE . 56.3 t -57.03 -46.94 84.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.954 -178.324 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 32.5 mt-10 -71.32 -45.54 62.76 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.467 -178.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -61.69 -52.28 64.95 Favored 'General case' 0 N--CA 1.447 -0.603 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.851 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.446 HD22 ' HE2' ' A' ' 82' ' ' PHE . 16.1 m120 -64.86 -28.11 69.33 Favored 'General case' 0 C--N 1.329 -0.304 0 O-C-N 123.097 0.248 . . . . 0.0 111.44 -177.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -60.23 -54.03 50.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.739 0.304 . . . . 0.0 110.262 174.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -68.48 -34.76 76.49 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.509 178.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.7 tp -58.4 -53.12 61.85 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.852 -0.613 . . . . 0.0 110.06 178.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.26 -32.99 73.55 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.414 -0.812 . . . . 0.0 111.141 179.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.06 -49.72 73.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.792 0.329 . . . . 0.0 110.781 177.468 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -38.18 87.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.459 178.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 81.5 t90 -63.16 -43.89 97.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.31 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.75 80.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.975 178.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -61.31 -42.31 98.44 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.243 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -68.13 -42.66 83.59 Favored Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.993 -0.622 . . . . 0.0 112.19 178.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.436 ' O ' HG12 ' A' ' 62' ' ' ILE . . . -64.78 -36.37 84.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.578 0.228 . . . . 0.0 110.661 178.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.545 HD23 HD11 ' A' ' 62' ' ' ILE . 32.9 mt -61.79 -34.19 75.44 Favored 'General case' 0 N--CA 1.453 -0.278 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.75 175.524 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.41 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 9.7 tp10 -71.09 -43.42 67.74 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.909 -0.587 . . . . 0.0 109.914 175.384 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -62.29 -47.29 84.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.637 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.545 HD11 HD23 ' A' ' 59' ' ' LEU . 36.4 pt -73.98 -11.81 14.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 121.003 0.43 . . . . 0.0 110.966 -179.518 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 60' ' ' GLU . 0.4 OUTLIER -77.31 -33.99 55.5 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 174.786 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 61.6 t -88.87 -49.32 14.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 CA-C-N 115.582 -0.736 . . . . 0.0 111.077 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.87 ' HD2' ' HA ' ' A' ' 120' ' ' GLU . 4.6 mmp_? -81.14 -32.29 33.79 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-N 116.063 -0.517 . . . . 0.0 112.071 -176.553 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.466 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 3.3 mpt_? 71.83 137.85 0.05 OUTLIER Pre-proline 0 N--CA 1.465 0.293 0 O-C-N 123.981 0.8 . . . . 0.0 110.341 -170.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.431 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 36.9 Cg_exo -60.57 103.98 0.24 Allowed 'Trans proline' 0 CA--C 1.53 0.275 0 C-N-CA 122.944 2.429 . . . . 0.0 112.664 -177.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 60.1 mttm -102.99 -53.91 2.73 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 177.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -86.19 -56.97 3.2 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 121.301 0.572 . . . . 0.0 110.151 175.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.448 HG23 HG23 ' A' ' 109' ' ' THR . 10.0 p -84.79 161.06 3.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.343 -0.844 . . . . 0.0 110.776 -176.045 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.479 ' HB3' ' HG2' ' A' ' 74' ' ' GLN . 73.9 t60 -110.02 141.69 42.48 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 108.489 -0.93 . . . . 0.0 108.489 178.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.5 ttpp -56.3 -44.38 79.8 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 117.949 0.34 . . . . 0.0 111.647 -172.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -55.54 -27.09 46.86 Favored 'General case' 0 N--CA 1.464 0.226 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.622 177.511 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.604 ' O ' HG23 ' A' ' 78' ' ' VAL . 72.6 mm-40 -71.06 -45.31 64.04 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.563 -0.29 . . . . 0.0 111.22 -177.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.468 ' H ' HD12 ' A' ' 75' ' ' ILE . 3.7 mp -55.6 -45.82 78.97 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 CA-C-O 121.141 0.496 . . . . 0.0 110.573 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -72.56 -28.35 62.77 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.187 -177.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.59 -34.24 40.92 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.086 179.315 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.604 HG23 ' O ' ' A' ' 74' ' ' GLN . 47.4 t -55.59 -42.45 68.76 Favored 'Isoleucine or valine' 0 C--O 1.222 -0.372 0 CA-C-N 116.42 -0.354 . . . . 0.0 111.353 -179.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.431 ' O ' ' HG ' ' A' ' 83' ' ' LEU . 75.9 tttt -54.94 -52.93 61.44 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.958 0.409 . . . . 0.0 111.148 -178.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -71.69 -43.08 66.61 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.108 -0.497 . . . . 0.0 111.048 -176.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -64.11 -33.94 76.92 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.267 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.446 ' HE2' HD22 ' A' ' 47' ' ' ASN . 64.3 t80 -69.05 -43.08 75.38 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.455 179.348 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.431 ' HG ' ' O ' ' A' ' 79' ' ' LYS . 94.5 mt -62.13 -41.9 98.71 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.032 0.444 . . . . 0.0 110.262 177.706 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.497 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 15.0 tp10 -63.1 -44.73 94.85 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.637 -0.71 . . . . 0.0 110.092 175.358 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.436 HD11 ' HA ' ' A' ' 103' ' ' THR . 6.8 tt -55.66 -49.82 71.87 Favored 'General case' 0 C--O 1.232 0.157 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.814 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 94.1 t -61.37 -43.95 97.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.734 179.471 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.61 ' O ' HG22 ' A' ' 91' ' ' VAL . 57.1 tp -64.23 -53.16 53.57 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.149 -178.216 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.497 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 13.7 pt20 -61.91 -26.54 68.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.35 -0.386 . . . . 0.0 111.611 -176.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 23.5 t -65.92 -39.62 90.7 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.731 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 74.5 m-85 -88.28 -49.36 7.03 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.884 0.327 . . . . 0.0 111.884 -176.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.61 HG22 ' O ' ' A' ' 87' ' ' LEU . 34.5 m -76.5 -21.18 15.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 121.037 -0.265 . . . . 0.0 111.655 -175.491 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 33.9 m170 61.81 41.72 11.39 Favored 'General case' 0 N--CA 1.469 0.486 0 C-N-CA 122.634 0.374 . . . . 0.0 111.94 176.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.436 ' HD2' HG23 ' A' ' 94' ' ' ILE . 1.6 p-80 -89.1 28.88 1.13 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 120.253 -0.579 . . . . 0.0 111.316 179.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.436 HG23 ' HD2' ' A' ' 93' ' ' HIS . 23.3 pt -140.15 -178.31 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 121.16 0.505 . . . . 0.0 110.824 179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 21.3 t60 -104.03 155.69 18.47 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 108.207 -1.034 . . . . 0.0 108.207 170.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -53.5 -42.52 67.43 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.912 0.708 . . . . 0.0 112.912 -171.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.474 ' NZ ' ' HB2' ' A' ' 97' ' ' LYS . 4.4 ttmp? -61.03 -35.66 77.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.704 0.288 . . . . 0.0 111.656 -177.053 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 7.3 tpp180 -64.68 -35.96 82.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.171 0.51 . . . . 0.0 110.506 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.498 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 77.3 t80 -66.76 -43.56 83.75 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.866 -0.607 . . . . 0.0 110.291 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.8 tmtt? -63.55 -46.38 86.23 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.488 -176.711 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -56.55 -54.48 45.45 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.117 -179.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.475 ' O ' HG23 ' A' ' 106' ' ' VAL . 67.5 mt -59.68 -47.29 91.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.948 -179.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.436 ' HA ' HD11 ' A' ' 85' ' ' LEU . 41.2 m -60.45 -45.8 92.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.817 0.341 . . . . 0.0 111.037 -178.834 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -65.93 -43.54 87.77 Favored 'General case' 0 N--CA 1.448 -0.575 0 CA-C-N 116.4 -0.364 . . . . 0.0 110.56 -177.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 19.9 t -58.83 -41.09 86.06 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.64 177.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 102' ' ' ILE . 95.4 t -69.17 -48.93 66.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.157 0 CA-C-N 116.64 -0.254 . . . . 0.0 110.716 178.668 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -58.42 -41.93 86.08 Favored 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.664 -0.244 . . . . 0.0 111.646 -179.684 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 66.2 t80 -60.28 -46.61 89.24 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.906 0.384 . . . . 0.0 110.222 176.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.463 ' O ' HG23 ' A' ' 113' ' ' VAL . 55.4 m -60.8 -45.58 93.87 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.095 179.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 96.0 mt -59.71 -41.32 90.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.286 -178.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 15.1 m-70 -68.54 -32.47 72.43 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 120.841 0.353 . . . . 0.0 110.86 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -69.43 -40.69 77.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.015 -0.539 . . . . 0.0 110.906 178.496 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 109' ' ' THR . 63.6 t -71.94 -39.75 67.32 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-O 121.138 0.494 . . . . 0.0 110.134 -178.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.2 tmmt? -60.46 -37.97 82.7 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.586 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -72.93 -34.68 66.74 Favored 'General case' 0 C--O 1.225 -0.208 0 C-N-CA 120.765 -0.374 . . . . 0.0 110.434 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -63.11 -40.48 97.75 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.263 0.554 . . . . 0.0 109.987 176.363 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.451 HG13 ' O ' ' A' ' 113' ' ' VAL . 79.8 mt -62.21 -39.82 85.4 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.199 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.32 176.343 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.89 -30.28 67.69 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.295 0.569 . . . . 0.0 110.259 175.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 64.9 ttt180 -80.08 -4.48 52.96 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.181 -0.918 . . . . 0.0 110.654 -178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.87 ' HA ' ' HD2' ' A' ' 65' ' ' ARG . 7.9 tp10 -72.6 -3.85 27.27 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-O 121.506 0.67 . . . . 0.0 109.793 169.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 37.5 t70 61.91 68.89 0.66 Allowed 'General case' 0 N--CA 1.454 -0.273 0 CA-C-N 115.145 -0.934 . . . . 0.0 109.289 -174.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.6 p -82.05 126.4 31.95 Favored 'General case' 0 N--CA 1.442 -0.847 0 CA-C-N 114.866 -1.061 . . . . 0.0 110.301 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 11.8 ttp180 . . . . . 0 C--N 1.325 -0.474 0 CA-C-N 115.776 -0.647 . . . . 0.0 109.9 179.478 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 120.715 0.293 . . . . 0.0 110.446 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 45.7 mt -55.62 128.77 36.24 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.845 179.265 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.631 ' HB3' ' HB3' ' A' ' 8' ' ' GLU . 24.2 m 57.74 84.81 0.09 Allowed 'General case' 0 CA--C 1.53 0.207 0 O-C-N 123.789 0.681 . . . . 0.0 111.11 179.587 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.501 ' H ' ' HB3' ' A' ' 7' ' ' LEU . 9.1 pt20 -120.06 100.83 7.44 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.099 0.476 . . . . 0.0 112.168 -176.401 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 44.9 m 70.57 -71.79 0.12 Allowed 'General case' 0 CA--C 1.532 0.276 0 CA-C-N 114.911 -1.04 . . . . 0.0 112.684 169.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 55.7 tp -98.32 -23.53 15.59 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 121.463 0.649 . . . . 0.0 110.343 -177.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.505 ' HG ' ' HG2' ' A' ' 11' ' ' GLU . 34.3 tp -74.54 -37.0 63.14 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.223 -175.709 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.631 ' HB3' ' HB3' ' A' ' 3' ' ' SER . 7.0 pt-20 -59.56 -42.76 93.15 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 113.019 0.748 . . . . 0.0 113.019 -172.549 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -62.02 -40.03 94.32 Favored 'General case' 0 N--CA 1.466 0.329 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.282 176.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.481 ' O ' HG12 ' A' ' 14' ' ' ILE . 41.1 m -63.84 -48.6 76.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.168 176.783 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.505 ' HG2' ' HG ' ' A' ' 7' ' ' LEU . 19.5 mm-40 -57.7 -43.16 84.98 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.352 -179.2 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.498 ' O ' HG23 ' A' ' 16' ' ' VAL . 55.2 tp60 -67.39 -40.55 85.68 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.409 179.892 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.604 ' SD ' HD21 ' A' ' 110' ' ' LEU . 47.4 ttm -66.64 -36.94 83.77 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.243 179.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 10' ' ' THR . 18.0 mm -55.2 -47.79 77.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.248 0 CA-C-O 121.216 0.531 . . . . 0.0 110.007 173.699 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.573 ' HG2' ' HD3' ' A' ' 19' ' ' LYS . 37.5 tt0 -65.84 -44.95 83.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.171 -177.456 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.498 HG23 ' O ' ' A' ' 12' ' ' GLN . 99.8 t -62.2 -39.66 84.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.533 0.206 . . . . 0.0 110.851 -178.814 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.59 -54.38 32.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.84 0.352 . . . . 0.0 110.526 177.642 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 54.4 mt-10 -57.03 -55.17 38.16 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.1 178.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.573 ' HD3' ' HG2' ' A' ' 15' ' ' GLU . 41.9 mtpt -72.48 -28.75 63.1 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.679 -175.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.97 -48.57 59.77 Favored Glycine 0 N--CA 1.45 -0.433 0 C-N-CA 120.633 -0.794 . . . . 0.0 111.567 176.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -63.41 -39.83 95.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.981 0.42 . . . . 0.0 110.673 177.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.404 ' O ' ' HG2' ' A' ' 26' ' ' GLU . 31.2 t70 -64.21 -42.5 96.59 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.778 177.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 71.2 ttt180 -62.86 -37.75 88.1 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.463 0.649 . . . . 0.0 110.42 178.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 37.0 t80 -71.39 -34.92 70.82 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.322 177.186 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 36.3 tt0 -73.18 -26.71 61.28 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.34 178.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.743 ' HB3' ' HB3' ' A' ' 29' ' ' ASN . 58.6 mm-40 -61.37 -40.68 95.18 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-O 121.21 0.529 . . . . 0.0 109.576 170.72 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 88.64 68.14 1.27 Allowed Glycine 0 N--CA 1.446 -0.657 0 C-N-CA 120.628 -0.796 . . . . 0.0 112.32 176.15 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 79.2 tttt 60.69 48.96 6.7 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-O 121.774 0.797 . . . . 0.0 109.836 178.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.743 ' HB3' ' HB3' ' A' ' 26' ' ' GLU . 56.3 t30 -124.17 163.32 21.78 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.179 -0.919 . . . . 0.0 110.288 -175.29 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 50.0 m 65.52 20.61 11.7 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 123.661 0.601 . . . . 0.0 111.533 177.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 6.1 t30 -124.47 133.22 53.42 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.721 179.446 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 73.2 m80 -81.61 -79.09 0.17 Allowed 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.749 0.309 . . . . 0.0 110.729 -178.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 40.2 m -97.93 132.38 43.56 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.982 0.42 . . . . 0.0 110.577 -179.628 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.6 t80 -95.19 11.69 31.46 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.54 0.686 . . . . 0.0 109.524 179.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.89 ' HB3' ' HB2' ' A' ' 38' ' ' GLU . 10.5 t70 -58.77 144.7 43.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.94 178.613 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 73.5 t80 -53.61 -52.18 60.68 Favored 'General case' 0 C--O 1.222 -0.353 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.607 -176.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 98.9 m-85 -83.81 -18.39 37.82 Favored 'General case' 0 C--N 1.321 -0.632 0 CA-C-O 121.06 0.457 . . . . 0.0 111.048 -175.493 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.89 ' HB2' ' HB3' ' A' ' 35' ' ' ASP . 5.1 mm-40 -84.12 -19.93 33.39 Favored 'General case' 0 C--N 1.324 -0.543 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -177.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.712 HG23 HG13 ' A' ' 40' ' ' ILE . 5.6 t -130.01 -24.16 2.67 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.172 -0.611 . . . . 0.0 111.966 179.328 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.712 HG13 HG23 ' A' ' 39' ' ' THR . 56.5 mt -114.25 84.62 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 121.244 0.545 . . . . 0.0 111.215 -178.538 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.606 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 64.8 tttp -164.82 -57.25 0.01 OUTLIER Pre-proline 0 C--N 1.327 -0.381 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.319 174.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.606 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 22.6 Cg_exo -64.07 -50.28 3.08 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.595 1.53 . . . . 0.0 111.636 -177.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -56.88 -40.55 76.41 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.997 179.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 48.2 t -59.95 -47.41 91.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.009 0.433 . . . . 0.0 110.914 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -69.35 -39.19 78.27 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.025 -0.534 . . . . 0.0 111.594 -179.121 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.451 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 0.5 OUTLIER -64.25 -49.05 73.41 Favored 'General case' 0 N--CA 1.449 -0.516 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.077 176.789 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 12.9 m120 -65.42 -36.73 84.83 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.472 -176.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 17.5 t70 -54.67 -57.28 12.11 Favored 'General case' 0 C--O 1.234 0.245 0 O-C-N 123.23 0.331 . . . . 0.0 111.273 178.755 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.475 ' O ' ' HB2' ' A' ' 53' ' ' ARG . 39.4 mt-10 -73.09 -27.91 61.98 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.045 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.451 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 13.4 tp -60.09 -53.04 62.44 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 109.935 -0.394 . . . . 0.0 109.935 178.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -66.39 -40.34 89.61 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.953 179.538 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.3 -41.73 96.7 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.366 -179.574 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 4.3 mmm180 -74.61 -34.55 62.84 Favored 'General case' 0 N--CA 1.449 -0.481 0 CA-C-O 120.811 0.339 . . . . 0.0 110.964 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.7 t90 -65.87 -49.38 68.33 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.04 176.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.51 -43.01 93.5 Favored 'General case' 0 N--CA 1.455 -0.217 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.847 179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -55.73 -48.14 75.71 Favored 'General case' 0 N--CA 1.433 -1.324 0 C-N-CA 123.212 0.605 . . . . 0.0 111.343 178.336 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.38 -41.94 57.62 Favored Glycine 0 N--CA 1.45 -0.389 0 C-N-CA 120.671 -0.776 . . . . 0.0 112.518 179.79 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.59 -41.67 98.33 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.719 0.295 . . . . 0.0 111.013 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.507 HD23 HD11 ' A' ' 62' ' ' ILE . 26.7 mt -61.38 -41.78 97.66 Favored 'General case' 0 N--CA 1.45 -0.437 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.733 177.694 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.537 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 5.3 tp10 -63.06 -45.4 92.35 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.352 0.596 . . . . 0.0 109.852 177.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 58.9 tp -60.99 -49.93 75.42 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.727 -0.67 . . . . 0.0 111.283 -178.388 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.507 HD11 HD23 ' A' ' 59' ' ' LEU . 34.1 pt -71.13 -24.86 24.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.429 0 N-CA-C 112.243 0.46 . . . . 0.0 112.243 -174.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.537 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -82.1 -20.59 37.82 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.362 -0.535 . . . . 0.0 110.654 179.499 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.5 t -95.99 -53.34 8.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.716 -0.22 . . . . 0.0 111.393 177.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.584 ' O ' ' HB2' ' A' ' 66' ' ' ARG . 32.1 ttt85 -91.56 -5.47 53.99 Favored 'General case' 0 CA--C 1.537 0.467 0 N-CA-C 111.899 0.333 . . . . 0.0 111.899 -173.698 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.584 ' HB2' ' O ' ' A' ' 65' ' ' ARG . 91.3 mtt180 77.28 150.2 0.12 Allowed Pre-proline 0 N--CA 1.471 0.588 0 C-N-CA 123.048 0.539 . . . . 0.0 111.268 -177.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 12.2 Cg_exo -71.02 90.36 0.65 Allowed 'Trans proline' 0 C--O 1.234 0.317 0 C-N-CA 122.659 2.239 . . . . 0.0 111.387 174.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 61.3 tttm -82.97 -60.76 2.06 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.84 -175.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 48.5 m-85 -94.43 -56.37 2.84 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.267 0.556 . . . . 0.0 110.395 177.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.491 HG21 HG23 ' A' ' 109' ' ' THR . 12.6 p -87.43 150.89 3.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.557 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.416 -177.149 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 50.0 m80 -104.18 156.77 17.61 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 179.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.0 tttm -57.6 -40.29 78.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.932 0.396 . . . . 0.0 110.767 -178.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.6 mt-10 -61.05 -29.49 69.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.732 -0.667 . . . . 0.0 111.087 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.471 ' O ' HG23 ' A' ' 78' ' ' VAL . 75.5 mm-40 -68.15 -44.68 75.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.842 -178.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 3.0 mp -58.81 -44.07 89.57 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-O 121.073 0.464 . . . . 0.0 110.23 178.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -70.64 -29.61 66.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.783 -0.644 . . . . 0.0 110.805 -178.545 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.66 -45.74 57.37 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.852 177.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 74' ' ' GLN . 78.1 t -59.02 -39.76 79.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.769 -178.194 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -56.87 -46.78 81.6 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 121.068 0.461 . . . . 0.0 110.372 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -73.92 -46.98 40.98 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.49 -179.1 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 84.7 m-20 -56.88 -44.01 81.86 Favored 'General case' 0 N--CA 1.464 0.264 0 CA-C-N 115.893 -0.594 . . . . 0.0 111.46 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.436 ' O ' HG23 ' A' ' 86' ' ' VAL . 41.5 t80 -61.19 -52.45 64.74 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.882 -176.345 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 45.7 mt -66.59 -38.92 88.04 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.303 -177.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.54 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 7.4 mm-40 -62.94 -49.54 74.35 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-N 116.71 -0.223 . . . . 0.0 110.524 175.342 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.3 tt -52.55 -48.61 66.02 Favored 'General case' 0 N--CA 1.465 0.305 0 O-C-N 123.408 0.443 . . . . 0.0 110.664 -177.344 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.436 HG23 ' O ' ' A' ' 82' ' ' PHE . 91.8 t -56.97 -50.09 77.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.99 179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.423 ' O ' HG22 ' A' ' 91' ' ' VAL . 43.6 tp -68.3 -42.49 79.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.175 -177.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.54 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 95.7 mt-30 -65.29 -27.31 68.53 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.14 -176.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 61.5 m -69.89 -38.53 76.36 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.824 0.345 . . . . 0.0 110.731 177.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -73.17 -48.67 33.35 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.417 -0.356 . . . . 0.0 111.208 -179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.423 HG22 ' O ' ' A' ' 87' ' ' LEU . 29.6 m -84.15 -2.94 7.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.405 -176.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 34.6 m80 60.74 44.6 10.96 Favored 'General case' 0 N--CA 1.464 0.237 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.823 177.273 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -80.52 -20.39 43.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.439 -178.69 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 2.0 pp -99.44 -179.15 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.618 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.139 176.441 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -129.08 -67.15 0.79 Allowed 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.613 0.244 . . . . 0.0 110.855 177.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -166.88 -57.94 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.426 -175.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.434 ' HB3' ' HD3' ' A' ' 98' ' ' ARG . 28.2 tptt -54.02 -57.31 11.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.742 -0.663 . . . . 0.0 112.242 -172.177 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.434 ' HD3' ' HB3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -75.56 -29.53 59.38 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.833 -0.347 . . . . 0.0 111.057 -176.084 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 89.4 t80 -58.89 -43.14 90.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.967 0.413 . . . . 0.0 110.588 -179.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 23.9 tptm -61.96 -51.75 66.82 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.754 -0.657 . . . . 0.0 110.78 179.213 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -61.78 -43.24 99.24 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.329 -177.623 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.438 ' O ' HG23 ' A' ' 106' ' ' VAL . 82.8 mt -59.55 -47.12 92.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.481 -0.327 . . . . 0.0 110.534 176.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 37.3 m -60.84 -43.85 97.74 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 120.996 0.426 . . . . 0.0 110.285 178.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -63.38 -37.27 86.61 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.486 178.086 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 43.7 m -66.16 -40.52 90.58 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.705 0.288 . . . . 0.0 110.817 178.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 102' ' ' ILE . 90.7 t -64.06 -50.59 76.4 Favored 'Isoleucine or valine' 0 C--O 1.233 0.189 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.258 176.411 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 81.2 mt -60.33 -40.11 89.44 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.134 -0.485 . . . . 0.0 111.262 179.389 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 56.5 t80 -53.68 -49.69 67.47 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-O 121.059 0.457 . . . . 0.0 110.658 175.747 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.491 HG23 HG21 ' A' ' 70' ' ' VAL . 89.4 m -62.7 -44.85 95.18 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.743 179.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.604 HD21 ' SD ' ' A' ' 13' ' ' MET . 95.5 mt -62.83 -40.41 97.34 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.495 -179.081 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -64.27 -37.2 86.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.894 0.378 . . . . 0.0 110.954 178.203 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -64.4 -48.95 73.48 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.013 -0.539 . . . . 0.0 110.9 -179.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 41.1 t -68.08 -34.25 65.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.42 179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 19.5 ttmm -55.18 -43.66 74.55 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.569 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -63.43 -49.35 74.06 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.943 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -54.49 -53.4 54.77 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 123.486 0.491 . . . . 0.0 111.151 179.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 75.6 mt -58.21 -49.37 81.95 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.333 -177.075 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -74.14 -23.74 59.32 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.188 -176.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -70.55 -53.09 17.46 Favored 'General case' 0 N--CA 1.451 -0.4 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.518 179.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.404 ' O ' ' HB3' ' A' ' 121' ' ' ASP . 29.1 mt-10 -69.56 -55.56 9.79 Favored 'General case' 0 C--O 1.234 0.28 0 C-N-CA 121.012 -0.275 . . . . 0.0 110.452 176.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.404 ' HB3' ' O ' ' A' ' 120' ' ' GLU . 21.7 t70 70.46 140.86 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.295 0 O-C-N 124.065 0.853 . . . . 0.0 111.85 178.274 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 27.1 m -147.39 100.35 3.25 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.88 -0.6 . . . . 0.0 109.708 178.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 41.8 mtt180 . . . . . 0 C--N 1.323 -0.555 0 CA-C-O 121.456 0.646 . . . . 0.0 110.191 -175.918 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.462 ' O ' ' HB2' ' A' ' 2' ' ' LEU . 19.9 ptt? . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 110.389 -0.226 . . . . 0.0 110.389 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.462 ' HB2' ' O ' ' A' ' 1' ' ' MET . 10.4 mp 73.4 142.49 0.07 Allowed 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.209 0.604 . . . . 0.0 110.844 -177.235 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.3 m -86.6 28.78 0.83 Allowed 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.195 -0.457 . . . . 0.0 112.045 -174.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.0 mt-30 -80.27 112.3 17.46 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 110.172 -0.307 . . . . 0.0 110.172 179.592 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 3.0 m -72.1 79.84 0.95 Allowed 'General case' 0 C--O 1.236 0.392 0 CA-C-O 121.265 0.555 . . . . 0.0 110.863 -178.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 5' ' ' THR . 51.4 tp 170.05 -38.93 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 114.971 -1.013 . . . . 0.0 108.71 -174.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.402 HD11 ' HG2' ' A' ' 114' ' ' LYS . 40.0 tp -77.5 -37.49 50.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.294 -0.867 . . . . 0.0 110.757 -177.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.55 -37.06 76.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.077 0.465 . . . . 0.0 110.744 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.516 ' SD ' ' HD2' ' A' ' 53' ' ' ARG . 44.7 ttp -61.52 -37.1 82.47 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.913 172.475 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.46 ' O ' HG13 ' A' ' 14' ' ' ILE . 62.0 m -66.68 -46.37 75.84 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.06 175.384 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -58.44 -36.9 74.37 Favored 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 176.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.459 ' O ' HG23 ' A' ' 16' ' ' VAL . 48.4 tt0 -61.05 -47.97 83.94 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.497 175.289 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.504 ' SD ' HD21 ' A' ' 110' ' ' LEU . 47.3 ttm -61.25 -39.88 92.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.55 178.297 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.474 HG12 HD13 ' A' ' 110' ' ' LEU . 80.8 mt -63.87 -44.11 98.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.266 177.373 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -60.11 -42.64 95.13 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.673 -179.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 12' ' ' GLN . 98.0 t -63.56 -44.59 98.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 177.732 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.75 -48.23 77.84 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.792 0.33 . . . . 0.0 110.885 179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 13.8 mm-40 -57.15 -53.15 61.35 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.4 177.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.478 ' HA ' ' HB3' ' A' ' 22' ' ' ASP . 8.0 tptp -69.07 -24.44 64.16 Favored 'General case' 0 N--CA 1.447 -0.606 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.211 -177.664 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.53 -44.65 92.58 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.742 -0.742 . . . . 0.0 111.374 174.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.23 -38.5 78.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.888 0.375 . . . . 0.0 110.313 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.478 ' HB3' ' HA ' ' A' ' 19' ' ' LYS . 14.5 t70 -60.05 -42.99 95.64 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 115.802 -0.635 . . . . 0.0 110.778 175.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.599 HH21 ' HB3' ' A' ' 29' ' ' ASN . 10.5 tpt180 -62.63 -44.63 95.8 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.476 178.74 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -65.81 -34.81 79.02 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.879 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -70.24 -34.88 73.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.067 0.461 . . . . 0.0 110.15 179.455 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 13.1 tp10 -74.27 -60.07 2.44 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.153 177.397 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 143.9 -178.49 21.92 Favored Glycine 0 N--CA 1.445 -0.739 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.999 179.719 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -88.12 151.44 22.72 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 110.075 -0.342 . . . . 0.0 110.075 -179.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.599 ' HB3' HH21 ' A' ' 23' ' ' ARG . 9.1 t30 -134.56 148.4 50.46 Favored 'General case' 0 C--N 1.321 -0.656 0 N-CA-C 109.134 -0.691 . . . . 0.0 109.134 -178.538 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 24.1 m 73.16 122.07 0.04 OUTLIER 'General case' 0 N--CA 1.463 0.203 0 O-C-N 124.311 1.007 . . . . 0.0 110.369 -176.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 9.8 p30 -104.79 -15.45 15.21 Favored 'General case' 0 C--N 1.322 -0.625 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.42 -178.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.426 ' C ' ' H ' ' A' ' 34' ' ' TYR . 34.5 m170 -115.44 149.57 37.82 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 109.286 -0.635 . . . . 0.0 109.286 174.33 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 8.6 t 73.14 -31.1 0.22 Allowed 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 123.587 0.755 . . . . 0.0 110.984 -176.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.426 ' H ' ' C ' ' A' ' 32' ' ' HIS . 85.6 t80 -73.96 77.88 1.67 Allowed 'General case' 0 C--N 1.33 -0.279 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 173.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -169.19 91.78 0.25 Allowed 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.387 -0.824 . . . . 0.0 109.886 -178.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.535 ' HA ' HD13 ' A' ' 40' ' ' ILE . 28.3 t80 70.11 -61.57 0.45 Allowed 'General case' 0 CA--C 1.534 0.359 0 CA-C-N 115.26 -0.882 . . . . 0.0 111.619 179.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 91.2 m-85 -80.89 165.39 21.85 Favored 'General case' 0 N--CA 1.448 -0.566 0 CA-C-O 120.776 0.322 . . . . 0.0 110.589 -176.607 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 71.17 -40.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 114.884 -1.053 . . . . 0.0 111.605 -178.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.7 p -98.86 -63.9 1.08 Allowed 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 116.423 -0.353 . . . . 0.0 111.623 -177.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.535 HD13 ' HA ' ' A' ' 36' ' ' PHE . 4.4 mp -85.13 58.58 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.377 0 CA-C-O 121.722 0.773 . . . . 0.0 110.581 -177.221 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.446 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 25.0 mmtp -147.26 -66.53 0.02 OUTLIER Pre-proline 0 C--N 1.325 -0.495 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.637 173.473 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.439 ' HD2' ' H ' ' A' ' 41' ' ' LYS . 49.0 Cg_endo -68.05 -40.14 9.55 Favored 'Trans proline' 0 C--N 1.357 1.004 0 C-N-CA 121.691 1.594 . . . . 0.0 112.086 -176.485 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.72 -42.45 99.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.306 178.555 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 28.5 t -61.69 -41.68 91.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.571 -178.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 44.0 mt-10 -64.42 -50.01 69.26 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-O 120.974 0.416 . . . . 0.0 110.71 177.541 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -61.35 -59.89 4.58 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-N 115.514 -0.766 . . . . 0.0 111.114 -177.435 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.638 HD22 ' HE2' ' A' ' 82' ' ' PHE . 18.9 m120 -62.41 -26.97 68.78 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 114.688 -1.142 . . . . 0.0 112.216 -174.441 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -66.55 -55.44 15.45 Favored 'General case' 0 N--CA 1.464 0.243 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 176.639 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -62.8 -33.94 76.24 Favored 'General case' 0 N--CA 1.462 0.126 0 CA-C-O 121.163 0.506 . . . . 0.0 110.163 178.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.417 HD11 ' OE1' ' A' ' 12' ' ' GLN . 10.9 tp -61.56 -52.44 64.43 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.332 -0.849 . . . . 0.0 110.201 179.388 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.499 ' HB3' ' HG3' ' A' ' 79' ' ' LYS . . . -72.39 -25.65 61.58 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.957 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.06 -54.88 17.3 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.547 176.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.516 ' HD2' ' SD ' ' A' ' 9' ' ' MET . 3.9 tmt_? -59.69 -38.41 81.49 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.103 177.504 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 71.9 t90 -63.62 -52.6 60.14 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.604 176.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.46 -43.96 96.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.242 -179.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -58.43 -39.14 78.97 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-O 120.631 0.253 . . . . 0.0 110.923 179.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -73.17 -48.23 20.49 Favored Glycine 0 N--CA 1.446 -0.647 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.554 178.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.5 -41.02 96.68 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.657 0.265 . . . . 0.0 111.167 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.475 HD23 HD11 ' A' ' 62' ' ' ILE . 37.0 mt -64.4 -37.61 88.13 Favored 'General case' 0 N--CA 1.448 -0.555 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.993 177.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 10.5 tp10 -62.41 -40.05 95.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.043 0.449 . . . . 0.0 109.964 178.884 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 63.5 tp -62.03 -48.89 78.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.124 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.531 HG22 ' HB3' ' A' ' 67' ' ' PRO . 37.1 pt -78.32 -11.34 13.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.348 0.594 . . . . 0.0 111.107 -177.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 67.1 tttt -81.82 -39.62 23.72 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.618 175.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 90.0 t -87.98 -45.95 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.827 -178.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.9 mtp85 -114.94 -166.33 1.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.321 -177.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 2.9 mpp_? -104.1 132.49 20.95 Favored Pre-proline 0 C--O 1.236 0.345 0 CA-C-O 120.982 0.42 . . . . 0.0 111.432 -178.672 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.531 ' HB3' HG22 ' A' ' 62' ' ' ILE . 55.3 Cg_endo -72.06 134.28 23.02 Favored 'Trans proline' 0 N--CA 1.458 -0.596 0 C-N-CA 122.493 2.129 . . . . 0.0 111.035 172.329 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 33.5 mttp -100.66 -34.72 9.75 Favored 'General case' 0 C--N 1.315 -0.913 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.622 -173.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.548 ' HB2' ' HB1' ' A' ' 112' ' ' ALA . 54.9 m-85 -115.16 -46.02 2.92 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.041 0.448 . . . . 0.0 111.246 -179.418 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.53 ' O ' ' HB2' ' A' ' 67' ' ' PRO . 7.4 p -93.59 167.15 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.162 -172.437 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.425 ' N ' HG22 ' A' ' 70' ' ' VAL . 75.1 m-70 -121.95 177.9 5.11 Favored 'General case' 0 N--CA 1.464 0.239 0 N-CA-C 109.991 -0.374 . . . . 0.0 109.991 176.448 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -67.05 -57.76 6.21 Favored 'General case' 0 N--CA 1.466 0.34 0 CA-C-O 120.969 0.414 . . . . 0.0 111.772 -175.626 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -60.73 -34.33 74.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.598 -0.728 . . . . 0.0 111.111 -173.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.609 ' O ' HG23 ' A' ' 78' ' ' VAL . 12.3 mm-40 -55.04 -53.38 56.57 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.946 179.077 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.514 HD12 HD13 ' A' ' 62' ' ' ILE . 75.8 mt -59.73 -39.02 78.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.407 -0.361 . . . . 0.0 111.468 -176.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.459 ' HG2' HD11 ' A' ' 59' ' ' LEU . 29.3 mt-10 -76.93 -33.92 57.7 Favored 'General case' 0 C--N 1.323 -0.57 0 CA-C-O 120.861 0.362 . . . . 0.0 110.686 -177.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.61 -29.78 61.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.792 178.794 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.609 HG23 ' O ' ' A' ' 74' ' ' GLN . 29.7 t -56.64 -42.02 75.5 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.257 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.316 179.089 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.499 ' HG3' ' HB3' ' A' ' 51' ' ' ALA . 84.4 tttt -58.52 -49.07 78.72 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 120.516 -0.473 . . . . 0.0 110.625 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -64.36 -36.25 83.54 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.33 0.586 . . . . 0.0 110.859 -177.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 25.7 m-80 -75.25 -35.67 61.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.94 -0.573 . . . . 0.0 111.336 179.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.638 ' HE2' HD22 ' A' ' 47' ' ' ASN . 33.8 t80 -69.41 -36.3 76.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.394 -178.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.424 ' HG ' ' O ' ' A' ' 79' ' ' LYS . 96.9 mt -63.89 -41.55 97.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 0.0 109.978 174.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.498 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 10.4 tp10 -63.16 -42.1 99.37 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.242 175.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.0 tt -54.5 -45.42 73.28 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.58 -179.61 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 57.4 t -62.54 -45.91 97.66 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.544 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.494 ' O ' HG22 ' A' ' 91' ' ' VAL . 59.9 tp -64.16 -49.63 71.34 Favored 'General case' 0 C--O 1.236 0.389 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.39 -177.37 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.498 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 12.6 pt20 -65.57 -23.2 66.79 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.451 -0.34 . . . . 0.0 111.239 -177.754 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 11.1 t -67.69 -29.42 68.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 120.932 0.396 . . . . 0.0 109.999 177.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.5 m-85 -95.72 -57.69 2.31 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.79 -178.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.494 HG22 ' O ' ' A' ' 87' ' ' LEU . 35.5 m -84.39 -15.82 10.91 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.307 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -173.375 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 25.3 m170 59.41 30.63 20.35 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.309 0.485 . . . . 0.0 112.309 174.421 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -82.62 35.15 0.45 Allowed 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.082 0.468 . . . . 0.0 112.015 -173.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.691 ' HB ' ' HB2' ' A' ' 98' ' ' ARG . 2.1 pp -129.13 13.15 2.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.571 0 CA-C-O 120.913 0.387 . . . . 0.0 111.077 -179.076 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 13.8 t-160 61.51 -76.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 114.924 -1.035 . . . . 0.0 111.623 -174.619 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 6.7 tmtt? -162.14 -54.87 0.04 OUTLIER 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.687 -176.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 44.3 tttp -66.66 -41.77 87.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.863 -170.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.691 ' HB2' ' HB ' ' A' ' 94' ' ' ILE . 62.8 mtt180 -60.0 -29.39 68.44 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 111.965 0.357 . . . . 0.0 111.965 -176.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.428 ' HA ' ' NE2' ' A' ' 88' ' ' GLN . 46.3 t80 -59.91 -42.1 93.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 121.031 0.443 . . . . 0.0 110.167 -179.243 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 79.9 tttt -67.79 -53.41 27.32 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.936 -178.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -56.95 -45.91 82.5 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 115.912 -0.585 . . . . 0.0 111.693 -174.637 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.418 ' O ' HG23 ' A' ' 106' ' ' VAL . 65.5 mt -63.76 -43.59 98.02 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.578 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.051 178.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 35.4 m -62.91 -42.78 99.9 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 121.068 0.461 . . . . 0.0 110.085 177.669 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -60.35 -46.78 88.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.066 177.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 48.9 m -57.8 -42.85 85.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.923 0.392 . . . . 0.0 111.009 179.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.456 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 94.8 t -69.33 -52.36 33.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.86 179.149 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.503 HD23 HD12 ' A' ' 110' ' ' LEU . 41.1 mt -60.58 -39.28 87.45 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.778 -177.802 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 18.3 t80 -59.58 -42.98 93.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 121.359 0.599 . . . . 0.0 109.955 179.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.495 HG21 HG21 ' A' ' 78' ' ' VAL . 30.3 m -70.08 -39.4 75.62 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.46 -0.791 . . . . 0.0 110.707 178.742 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.504 HD21 ' SD ' ' A' ' 13' ' ' MET . 94.1 mt -61.46 -39.76 92.03 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.877 178.633 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -56.8 -44.79 82.29 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 121.296 0.57 . . . . 0.0 110.34 175.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.548 ' HB1' ' HB2' ' A' ' 69' ' ' TYR . . . -64.3 -49.3 72.33 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.206 -0.906 . . . . 0.0 111.492 -177.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 58.8 t -71.71 -33.91 50.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-O 121.031 0.443 . . . . 0.0 110.396 -174.151 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.402 ' HG2' HD11 ' A' ' 7' ' ' LEU . 0.5 OUTLIER -57.88 -47.41 82.83 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.672 177.625 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -68.36 -37.96 80.97 Favored 'General case' 0 C--O 1.222 -0.38 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.497 -178.075 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.442 ' HG2' ' O ' ' A' ' 112' ' ' ALA . 28.3 mm-40 -54.6 -52.76 61.16 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.863 0.363 . . . . 0.0 111.203 177.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 75.1 mt -58.62 -46.04 90.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.858 -0.61 . . . . 0.0 111.139 -177.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -77.85 -16.25 58.43 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.526 -178.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 52.7 ttt180 -86.39 -39.55 16.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.916 0.388 . . . . 0.0 110.503 179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -71.56 -34.74 70.24 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.277 -178.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -143.33 125.84 15.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.856 -0.611 . . . . 0.0 109.803 175.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 20.4 m -111.36 136.42 50.51 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-O 120.69 0.281 . . . . 0.0 110.983 -177.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 83.8 mtt180 . . . . . 0 C--N 1.332 -0.175 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.206 -179.196 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.9 mpt? . . . . . 0 N--CA 1.48 1.049 0 CA-C-O 120.875 0.369 . . . . 0.0 110.464 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 96.2 mt -112.83 96.03 5.74 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 109.717 -0.475 . . . . 0.0 109.717 176.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 m -144.05 89.47 2.04 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.136 0.493 . . . . 0.0 110.727 -178.368 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -127.05 96.89 4.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.598 -0.728 . . . . 0.0 109.554 177.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 38.3 p -77.62 114.32 16.34 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.337 0.589 . . . . 0.0 110.66 -178.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 36.6 tp -117.93 -28.08 6.01 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 115.626 -0.715 . . . . 0.0 110.23 -176.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.73 ' HG ' ' HG2' ' A' ' 11' ' ' GLU . 35.1 tp -70.6 -35.78 73.17 Favored 'General case' 0 C--N 1.323 -0.543 0 CA-C-N 115.658 -0.701 . . . . 0.0 111.671 -175.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.454 ' HG3' ' N ' ' A' ' 9' ' ' MET . 5.9 pt-20 -51.89 -45.92 64.35 Favored 'General case' 0 CA--C 1.533 0.302 0 N-CA-C 113.032 0.753 . . . . 0.0 113.032 -174.471 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.454 ' N ' ' HG3' ' A' ' 8' ' ' GLU . 3.5 mpp? -63.06 -42.68 99.73 Favored 'General case' 0 CA--C 1.521 -0.167 0 CA-C-O 120.844 0.354 . . . . 0.0 110.314 -178.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.535 ' O ' HG13 ' A' ' 14' ' ' ILE . 19.6 m -64.35 -50.88 65.98 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.987 178.191 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.73 ' HG2' ' HG ' ' A' ' 7' ' ' LEU . 23.8 mm-40 -54.46 -49.63 69.62 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.513 178.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.427 ' HB3' HD21 ' A' ' 50' ' ' LEU . 0.1 OUTLIER -58.56 -48.97 79.11 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.401 178.17 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.62 ' SD ' HD21 ' A' ' 110' ' ' LEU . 49.8 ttm -62.68 -36.74 83.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.941 -178.556 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.535 HG13 ' O ' ' A' ' 10' ' ' THR . 78.4 mt -65.13 -51.02 71.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.583 0.23 . . . . 0.0 110.772 178.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -67.82 -37.66 82.23 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.995 -176.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 12' ' ' GLN . 72.2 t -64.61 -39.19 84.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 C-N-CA 120.941 -0.304 . . . . 0.0 110.256 175.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.44 -49.54 75.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.607 -0.27 . . . . 0.0 110.498 177.036 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 22.0 mt-10 -58.9 -48.61 80.82 Favored 'General case' 0 N--CA 1.453 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.395 177.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.1 mttp -63.23 -40.27 96.98 Favored 'General case' 0 N--CA 1.463 0.191 0 CA-C-O 120.674 0.273 . . . . 0.0 111.11 178.232 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.73 -38.25 94.28 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.215 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.92 -35.23 74.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.717 0.294 . . . . 0.0 110.825 178.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.751 ' O ' ' HG3' ' A' ' 25' ' ' GLN . 20.7 t70 -75.43 -32.51 60.72 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.117 0.484 . . . . 0.0 110.461 178.518 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.437 ' HD3' ' O ' ' A' ' 23' ' ' ARG . 0.3 OUTLIER -64.41 -39.27 93.52 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.702 -0.851 . . . . 0.0 108.702 172.697 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.794 ' HE2' ' HA ' ' A' ' 96' ' ' LYS . 27.2 t80 -75.12 -32.55 61.41 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-N 115.503 -0.771 . . . . 0.0 111.031 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.751 ' HG3' ' O ' ' A' ' 22' ' ' ASP . 5.1 pp0? -65.29 -30.29 71.14 Favored 'General case' 0 C--O 1.231 0.114 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.536 179.146 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.403 ' HG3' ' NE2' ' A' ' 25' ' ' GLN . 37.8 mt-10 -72.97 -35.48 66.92 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.888 0.375 . . . . 0.0 110.321 171.156 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -65.13 103.9 0.87 Allowed Glycine 0 N--CA 1.449 -0.482 0 CA-C-N 115.542 -0.754 . . . . 0.0 112.61 178.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 35.2 pttt -119.54 -1.72 10.62 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 121.387 0.613 . . . . 0.0 110.319 179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.4 m120 -119.64 148.85 42.87 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.429 -0.805 . . . . 0.0 109.249 174.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.1 p -65.51 -59.05 4.39 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.461 -176.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 60.97 85.11 0.12 Allowed 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 121.162 0.506 . . . . 0.0 110.381 -177.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -70.81 88.39 0.73 Allowed 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.761 -0.654 . . . . 0.0 112.243 -174.708 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.4 t 70.61 141.31 0.05 OUTLIER 'General case' 0 CA--C 1.533 0.292 0 O-C-N 123.771 0.669 . . . . 0.0 111.624 174.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 7.8 p90 -160.64 -55.73 0.05 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.382 177.734 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.547 ' O ' HD12 ' A' ' 40' ' ' ILE . 14.5 t0 -117.72 145.98 44.07 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.735 0.303 . . . . 0.0 111.612 -177.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 59.2 m-85 -148.38 6.56 0.75 Allowed 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.348 -0.842 . . . . 0.0 109.966 173.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 31.8 p90 -141.25 -20.22 0.78 Allowed 'General case' 0 CA--C 1.532 0.288 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -171.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -77.22 -61.44 1.98 Allowed 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 120.461 0.172 . . . . 0.0 111.137 -179.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 15.2 t -117.44 -25.37 7.02 Favored 'General case' 0 C--N 1.324 -0.518 0 C-N-CA 120.711 -0.396 . . . . 0.0 111.311 -177.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.547 HD12 ' O ' ' A' ' 35' ' ' ASP . 20.3 mt -69.55 -42.29 80.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 N-CA-C 112.116 0.413 . . . . 0.0 112.116 -176.305 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 24.8 mttm -50.64 -57.23 13.98 Favored Pre-proline 0 CA--C 1.539 0.536 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 -177.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 23.5 Cg_exo -64.41 -40.7 23.38 Favored 'Trans proline' 0 C--N 1.354 0.833 0 C-N-CA 121.702 1.601 . . . . 0.0 111.993 179.171 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.7 -43.6 85.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.736 -177.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 40' ' ' ILE . 99.5 t -61.39 -38.89 81.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 120.686 0.279 . . . . 0.0 111.014 -179.349 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 15.6 mm-40 -70.34 -50.87 34.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.65 0.262 . . . . 0.0 110.95 -179.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.4 mm-40 -56.03 -55.11 36.8 Favored 'General case' 0 N--CA 1.449 -0.521 0 CA-C-N 116.019 -0.537 . . . . 0.0 111.579 -179.247 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 54.6 m-80 -67.51 -29.19 68.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.09 -0.505 . . . . 0.0 112.144 -174.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -65.92 -47.58 74.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.782 0.325 . . . . 0.0 110.166 178.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -66.49 -40.11 89.09 Favored 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.014 0.435 . . . . 0.0 109.907 176.316 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.427 HD21 ' HB3' ' A' ' 12' ' ' GLN . 13.1 tp -55.62 -53.26 58.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.203 -0.908 . . . . 0.0 110.528 179.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.69 ' HB1' ' HG2' ' A' ' 79' ' ' LYS . . . -62.78 -38.26 89.93 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.67 -0.695 . . . . 0.0 111.459 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.0 -52.84 53.88 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.128 -179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.6 -34.17 77.6 Favored 'General case' 0 N--CA 1.454 -0.267 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.662 -179.226 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.413 ' HB2' ' HB3' ' A' ' 9' ' ' MET . 79.1 t90 -66.0 -49.31 68.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.167 176.727 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.75 -44.86 82.14 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.831 178.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -57.67 -53.21 60.77 Favored 'General case' 0 N--CA 1.444 -0.727 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.031 177.401 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.94 -42.53 99.66 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.841 -0.695 . . . . 0.0 112.994 -177.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.41 -43.25 81.7 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 120.84 0.352 . . . . 0.0 111.024 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.587 HD21 ' HG3' ' A' ' 72' ' ' LYS . 24.9 mt -66.96 -37.4 84.2 Favored 'General case' 0 N--CA 1.449 -0.486 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.823 177.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.511 ' O ' HG23 ' A' ' 64' ' ' VAL . 24.9 tp10 -65.79 -39.52 91.03 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 178.46 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -57.86 -51.03 71.29 Favored 'General case' 0 C--O 1.236 0.384 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 -179.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 38.9 pt -67.61 -31.38 52.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 N-CA-C 112.334 0.494 . . . . 0.0 112.334 -174.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -81.91 -26.36 34.16 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.592 -0.443 . . . . 0.0 111.585 178.617 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 60' ' ' GLU . 39.3 t -68.6 -48.0 74.07 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.605 0.241 . . . . 0.0 110.63 177.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 58.6 mtp180 -106.42 -80.32 0.56 Allowed 'General case' 0 C--N 1.327 -0.405 0 C-N-CA 120.611 -0.436 . . . . 0.0 110.949 177.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.591 ' HG3' ' HD2' ' A' ' 67' ' ' PRO . 11.6 ttm180 -175.44 141.33 0.64 Allowed Pre-proline 0 C--N 1.327 -0.398 0 N-CA-C 109.627 -0.509 . . . . 0.0 109.627 -176.163 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.591 ' HD2' ' HG3' ' A' ' 66' ' ' ARG . 50.3 Cg_exo -54.26 115.03 2.09 Favored 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.643 2.228 . . . . 0.0 112.278 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.472 ' HD2' ' OE2' ' A' ' 116' ' ' GLU . 6.9 ttmt -139.19 115.6 10.51 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 -176.547 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 67.16 -70.08 0.12 Allowed 'General case' 0 N--CA 1.468 0.432 0 O-C-N 123.658 0.599 . . . . 0.0 111.025 -177.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 8.7 p -76.1 140.39 17.35 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-O 121.203 0.525 . . . . 0.0 109.82 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -135.07 161.24 35.88 Favored 'General case' 0 C--N 1.322 -0.599 0 N-CA-C 109.72 -0.474 . . . . 0.0 109.72 -178.221 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.587 ' HG3' HD21 ' A' ' 59' ' ' LEU . 65.2 tttp -59.61 -39.8 85.43 Favored 'General case' 0 CA--C 1.52 -0.2 0 O-C-N 123.203 0.314 . . . . 0.0 110.457 -178.431 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -51.01 -44.22 60.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.95 -0.568 . . . . 0.0 110.98 176.257 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 14.8 mm-40 -69.47 -46.21 67.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.693 179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 72.5 mt -60.71 -39.98 83.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.227 -177.474 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 71.6 mm-40 -68.31 -42.08 79.92 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.984 0.421 . . . . 0.0 110.231 179.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -68.05 -46.47 71.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.812 -0.631 . . . . 0.0 111.839 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.47 HG21 ' HB ' ' A' ' 109' ' ' THR . 77.9 t -67.12 -42.25 88.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.349 -177.197 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.69 ' HG2' ' HB1' ' A' ' 51' ' ' ALA . 14.4 tmtt? -55.77 -41.41 73.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.201 0.524 . . . . 0.0 110.377 179.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -74.49 -49.8 20.71 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.639 -0.709 . . . . 0.0 110.833 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 22.6 m-80 -64.59 -31.68 73.0 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 112.04 -177.166 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.406 ' O ' HG23 ' A' ' 86' ' ' VAL . 51.3 t80 -65.52 -45.16 84.56 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.846 0.355 . . . . 0.0 110.58 -179.573 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 37.5 mt -61.98 -41.48 98.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 121.077 0.465 . . . . 0.0 110.359 177.317 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.537 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 24.9 mm-40 -61.44 -47.3 86.35 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.532 175.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.7 tt -52.64 -49.42 65.2 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 122.9 0.48 . . . . 0.0 110.818 -178.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 82' ' ' PHE . 65.1 t -57.01 -46.98 84.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.233 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.019 179.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.425 ' O ' HG22 ' A' ' 91' ' ' VAL . 52.2 tp -66.83 -45.66 77.58 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.119 -179.341 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.537 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 16.7 mm-40 -69.14 -24.38 64.08 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.762 -174.825 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.424 ' HA ' ' HD1' ' A' ' 24' ' ' TYR . 24.7 t -66.47 -21.54 66.19 Favored 'General case' 0 C--O 1.236 0.393 0 CA-C-O 121.061 0.458 . . . . 0.0 110.134 177.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 73.1 m-85 -102.88 -57.91 1.96 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.647 178.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 87' ' ' LEU . 34.0 m -72.28 -23.78 21.72 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.272 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 -174.386 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 50.4 m170 60.73 36.48 19.37 Favored 'General case' 0 N--CA 1.47 0.562 0 O-C-N 123.351 0.407 . . . . 0.0 111.866 175.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.514 ' HB3' ' OE1' ' A' ' 88' ' ' GLN . 68.2 t60 -69.68 -34.74 74.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.645 -0.252 . . . . 0.0 110.675 178.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.531 HG12 ' HB3' ' A' ' 88' ' ' GLN . 44.2 pt -96.65 159.39 3.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.386 177.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 60.9 m80 -82.59 168.49 17.28 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.026 -0.533 . . . . 0.0 111.96 -174.645 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.794 ' HA ' ' HE2' ' A' ' 24' ' ' TYR . 42.7 tttp -68.41 -31.12 70.24 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.817 -169.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -71.77 -53.83 12.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.162 -177.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 20.8 tpp180 -62.86 -33.91 76.25 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.065 -179.362 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -57.36 -41.43 80.1 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-O 120.876 0.37 . . . . 0.0 110.282 178.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.569 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 25.4 tptp -64.52 -44.24 91.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.457 -179.456 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -65.48 -37.85 88.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.711 -179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 64.4 mt -61.58 -43.02 96.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.214 -0.448 . . . . 0.0 109.849 174.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.6 m -58.84 -45.28 90.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.869 174.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.569 ' HG2' ' O ' ' A' ' 100' ' ' LYS . 33.3 mm-40 -56.0 -48.94 74.97 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.516 176.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 36.7 m -57.1 -45.35 83.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.27 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.461 HG13 HG13 ' A' ' 78' ' ' VAL . 97.6 t -66.88 -53.8 30.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.628 179.331 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.433 HD23 HD12 ' A' ' 110' ' ' LEU . 29.0 mt -60.55 -35.3 75.69 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.986 -178.18 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 72.7 t80 -57.19 -52.11 66.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.931 0.396 . . . . 0.0 110.573 178.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.47 ' HB ' HG21 ' A' ' 78' ' ' VAL . 41.8 m -66.93 -38.73 86.7 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.855 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.62 HD21 ' SD ' ' A' ' 13' ' ' MET . 89.9 mt -59.9 -40.93 90.45 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.052 178.081 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -64.27 -36.3 83.64 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.506 179.019 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.44 -42.27 87.93 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.532 178.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.425 ' O ' HG13 ' A' ' 117' ' ' ILE . 60.8 t -71.8 -43.18 69.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 121.015 0.436 . . . . 0.0 110.303 -178.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 63.9 tttp -61.13 -40.64 94.55 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.736 -0.666 . . . . 0.0 110.539 179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -70.98 -39.89 72.22 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.537 178.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.472 ' OE2' ' HD2' ' A' ' 68' ' ' LYS . 7.9 mm-40 -59.85 -47.17 86.81 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.779 176.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.425 HG13 ' O ' ' A' ' 113' ' ' VAL . 83.7 mt -59.84 -44.44 94.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 CA-C-O 120.844 0.354 . . . . 0.0 110.543 179.559 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.66 -17.02 61.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.106 0.479 . . . . 0.0 110.959 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -83.19 -44.53 14.93 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.975 177.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 -65.0 -47.31 77.98 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.863 -0.608 . . . . 0.0 111.048 178.625 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 31.6 t70 -152.43 101.5 2.67 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.075 0.464 . . . . 0.0 110.572 178.535 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 2.7 p -91.29 82.79 5.44 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.631 179.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.609 ' HA ' ' NE ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.482 0 CA-C-O 121.051 0.453 . . . . 0.0 110.402 178.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.58 ' HG3' ' HB3' ' A' ' 11' ' ' GLU . 1.7 mpt? . . . . . 0 N--CA 1.479 0.979 0 CA-C-O 120.94 0.4 . . . . 0.0 110.475 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.648 HD21 HD23 ' A' ' 7' ' ' LEU . 1.2 pt? -162.03 112.15 1.56 Allowed 'General case' 0 C--N 1.324 -0.536 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.585 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.498 ' HA ' ' HG3' ' A' ' 8' ' ' GLU . 55.3 m -76.87 37.9 0.19 Allowed 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.727 -0.669 . . . . 0.0 112.654 -169.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.474 ' O ' ' HB ' ' A' ' 5' ' ' THR . 3.2 mp0 -69.71 -62.66 1.29 Allowed 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.263 -0.643 . . . . 0.0 109.263 173.011 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.474 ' HB ' ' O ' ' A' ' 4' ' ' GLN . 13.2 t 173.44 161.11 0.14 Allowed 'General case' 0 C--O 1.234 0.269 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.255 177.466 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.1 tp 70.35 -67.34 0.24 Allowed 'General case' 0 N--CA 1.468 0.426 0 N-CA-C 113.482 0.919 . . . . 0.0 113.482 171.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.648 HD23 HD21 ' A' ' 2' ' ' LEU . 32.8 tp -61.68 -31.29 71.41 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.072 0.397 . . . . 0.0 112.072 -170.42 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.498 ' HG3' ' HA ' ' A' ' 3' ' ' SER . 8.2 mm-40 -55.09 -36.38 65.59 Favored 'General case' 0 C--N 1.324 -0.542 0 N-CA-C 112.368 0.507 . . . . 0.0 112.368 -178.175 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 4.4 mpp? -65.67 -32.25 73.72 Favored 'General case' 0 C--N 1.333 -0.14 0 C-N-CA 120.501 -0.48 . . . . 0.0 110.317 178.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.531 ' O ' HG12 ' A' ' 14' ' ' ILE . 17.2 m -73.62 -47.42 40.29 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.766 175.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.58 ' HB3' ' HG3' ' A' ' 1' ' ' MET . 11.4 mm-40 -55.39 -45.3 76.64 Favored 'General case' 0 C--O 1.236 0.35 0 CA-C-N 115.663 -0.698 . . . . 0.0 110.699 179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.511 ' O ' HG23 ' A' ' 16' ' ' VAL . 59.1 tt0 -62.71 -47.66 82.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.393 177.642 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 46.8 ttm -60.64 -36.32 78.37 Favored 'General case' 0 C--O 1.234 0.26 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.531 HG12 ' O ' ' A' ' 10' ' ' THR . 28.6 mm -55.16 -52.16 47.69 Favored 'Isoleucine or valine' 0 C--O 1.235 0.306 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.795 175.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -67.47 -37.22 82.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.161 -176.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.511 HG23 ' O ' ' A' ' 12' ' ' GLN . 89.4 t -60.88 -42.19 91.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 120.715 0.293 . . . . 0.0 110.615 179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.4 -49.81 67.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.749 178.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.6 mm-40 -58.93 -41.04 86.41 Favored 'General case' 0 N--CA 1.454 -0.259 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.61 177.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.412 ' O ' ' HB2' ' A' ' 23' ' ' ARG . 36.3 mttp -66.14 -44.74 83.29 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.441 -0.345 . . . . 0.0 111.04 177.271 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.75 -49.96 72.88 Favored Glycine 0 N--CA 1.453 -0.227 0 C-N-CA 121.155 -0.545 . . . . 0.0 112.628 -178.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.463 ' HA ' ' CE2' ' A' ' 99' ' ' PHE . . . -58.2 -44.21 87.98 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.026 0.441 . . . . 0.0 111.346 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.623 ' O ' ' HG2' ' A' ' 25' ' ' GLN . 4.2 t70 -72.81 -35.9 67.43 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.914 -0.584 . . . . 0.0 111.461 -179.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.412 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -67.58 -36.49 80.99 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 179.237 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -70.65 -34.49 72.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.912 -0.586 . . . . 0.0 110.346 175.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.623 ' HG2' ' O ' ' A' ' 22' ' ' ASP . 6.5 pt20 -67.11 -24.78 65.96 Favored 'General case' 0 CA--C 1.532 0.278 0 CA-C-O 120.953 0.406 . . . . 0.0 110.283 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -74.61 -42.52 58.5 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.508 -0.315 . . . . 0.0 110.551 172.63 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -106.42 70.35 0.22 Allowed Glycine 0 CA--C 1.519 0.294 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.502 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.566 ' HB3' ' HE3' ' A' ' 96' ' ' LYS . 53.7 mtmt -96.74 -28.83 14.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.695 0.283 . . . . 0.0 111.618 -176.702 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -104.57 -2.84 24.61 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 -168.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.7 p -123.53 132.21 53.84 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 121.249 0.547 . . . . 0.0 111.806 -177.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -107.15 119.52 39.61 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.789 177.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 43.6 m80 -138.3 140.59 39.63 Favored 'General case' 0 C--N 1.32 -0.676 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.266 -179.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.1 m -76.22 94.31 3.52 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-N 116.291 -0.413 . . . . 0.0 109.958 174.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.472 ' HB3' HG21 ' A' ' 39' ' ' THR . 3.9 m-85 -62.86 134.46 56.28 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.854 -0.612 . . . . 0.0 109.431 176.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.711 ' HB3' ' HB2' ' A' ' 38' ' ' GLU . 14.1 t70 -54.04 128.12 29.26 Favored 'General case' 0 C--O 1.237 0.441 0 CA-C-O 121.143 0.496 . . . . 0.0 111.293 -174.513 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 25.2 t80 -75.87 -4.38 40.49 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 115.112 -0.949 . . . . 0.0 111.892 -171.157 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 82.5 m-85 -115.43 -38.51 3.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.956 0.408 . . . . 0.0 110.693 176.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.711 ' HB2' ' HB3' ' A' ' 35' ' ' ASP . 56.4 mm-40 -63.89 -63.59 1.12 Allowed 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.988 -179.668 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.472 HG21 ' HB3' ' A' ' 34' ' ' TYR . 8.4 t -103.98 -23.22 13.36 Favored 'General case' 0 C--N 1.321 -0.669 0 C-N-CA 120.521 -0.472 . . . . 0.0 111.59 -171.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 22.5 mt -98.78 60.36 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-O 121.436 0.636 . . . . 0.0 110.575 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.956 ' HA ' ' HE2' ' A' ' 41' ' ' LYS . 3.1 mmpt? -148.22 -60.93 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 115.75 -0.659 . . . . 0.0 111.867 178.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.574 ' HD3' ' HB2' ' A' ' 41' ' ' LYS . 47.0 Cg_exo -56.47 -49.96 13.35 Favored 'Trans proline' 0 C--N 1.357 0.974 0 C-N-CA 122.134 1.889 . . . . 0.0 113.172 -173.599 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -67.99 -35.93 79.15 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.475 -178.432 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 40.3 t -58.96 -54.59 31.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.39 -0.368 . . . . 0.0 111.219 -175.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -65.52 -38.12 88.75 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.619 179.74 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -65.32 -61.34 2.18 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-O 121.698 0.761 . . . . 0.0 111.236 -178.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.0 m120 -62.67 -31.11 71.94 Favored 'General case' 0 C--N 1.317 -0.835 0 CA-C-N 114.22 -1.355 . . . . 0.0 112.195 -172.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.65 -46.13 83.83 Favored 'General case' 0 C--O 1.234 0.258 0 C-N-CA 120.948 -0.301 . . . . 0.0 110.629 179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 -73.7 -38.35 64.89 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 121.096 0.474 . . . . 0.0 110.531 176.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 12.9 tp -58.27 -53.16 61.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.726 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.614 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -65.18 -30.23 71.12 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.289 -178.361 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.6 -53.58 45.43 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.084 0.469 . . . . 0.0 110.473 178.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 4.7 mtt180 -69.21 -30.59 68.8 Favored 'General case' 0 N--CA 1.446 -0.625 0 CA-C-N 115.574 -0.739 . . . . 0.0 111.281 179.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.9 t90 -60.91 -47.61 85.63 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.152 175.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.46 -46.2 87.07 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.77 178.152 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -59.5 -42.56 92.45 Favored 'General case' 0 N--CA 1.432 -1.37 0 C-N-CA 123.229 0.611 . . . . 0.0 110.977 179.14 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -65.28 -45.19 91.99 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 121.027 -0.606 . . . . 0.0 112.239 178.097 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.87 98.99 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.871 0.367 . . . . 0.0 110.619 179.19 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.681 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 69.1 mt -60.24 -40.47 90.36 Favored 'General case' 0 N--CA 1.446 -0.657 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.937 177.719 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.526 ' HA ' ' HD2' ' A' ' 63' ' ' LYS . 11.0 tp10 -55.71 -44.94 77.93 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.545 178.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.99 -40.78 95.48 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 112.06 0.393 . . . . 0.0 112.06 -177.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.596 ' HB ' ' HG3' ' A' ' 67' ' ' PRO . 26.4 pt -70.92 -35.39 59.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 N-CA-C 112.056 0.391 . . . . 0.0 112.056 -174.016 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.681 ' HG3' ' O ' ' A' ' 59' ' ' LEU . 0.0 OUTLIER -83.19 -20.06 35.36 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 112.04 0.385 . . . . 0.0 112.04 179.109 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 60' ' ' GLU . 54.9 t -78.19 -49.86 20.52 Favored 'Isoleucine or valine' 0 C--O 1.234 0.251 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.456 174.538 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 57.4 mtt-85 -106.89 -99.44 0.35 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.551 -0.295 . . . . 0.0 110.727 176.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.415 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 0.1 OUTLIER 176.47 132.51 0.18 Allowed Pre-proline 0 C--N 1.33 -0.25 0 N-CA-C 107.893 -1.151 . . . . 0.0 107.893 -178.395 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.596 ' HG3' ' HB ' ' A' ' 62' ' ' ILE . 16.6 Cg_exo -65.72 132.36 30.44 Favored 'Trans proline' 0 N--CA 1.473 0.268 0 C-N-CA 122.614 2.209 . . . . 0.0 113.027 -174.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 67.4 mttm -98.88 -50.88 4.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.984 0.421 . . . . 0.0 110.805 176.285 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.402 ' CB ' ' HB1' ' A' ' 112' ' ' ALA . 74.0 m-85 -101.15 -52.6 3.23 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.358 -178.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.417 HG22 ' N ' ' A' ' 71' ' ' HIS . 8.3 p -74.55 163.9 3.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 115.73 -0.668 . . . . 0.0 111.652 -174.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.417 ' N ' HG22 ' A' ' 70' ' ' VAL . 11.1 t60 -135.58 144.8 46.38 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 108.458 -0.941 . . . . 0.0 108.458 176.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 73' ' ' GLU . 17.9 ptmt -54.78 -42.5 71.8 Favored 'General case' 0 N--CA 1.468 0.459 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -175.75 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.458 ' N ' ' HG3' ' A' ' 72' ' ' LYS . 40.7 tt0 -57.48 -42.21 82.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.023 179.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.492 ' HA ' ' OE1' ' A' ' 74' ' ' GLN . 11.7 mm-40 -65.71 -37.12 85.56 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.838 -0.619 . . . . 0.0 111.09 -179.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 66.1 mt -62.47 -43.89 98.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 CA-C-O 121.059 0.456 . . . . 0.0 110.491 179.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.5 mt-10 -65.84 -39.26 90.62 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.689 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -72.56 -46.62 53.53 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.717 -0.674 . . . . 0.0 111.615 -178.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.554 HG13 HG13 ' A' ' 106' ' ' VAL . 30.2 t -57.56 -41.76 79.7 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 111.954 0.353 . . . . 0.0 111.954 -176.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.614 ' HG3' ' HB1' ' A' ' 51' ' ' ALA . 83.1 tttt -52.94 -50.05 64.81 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.849 0.357 . . . . 0.0 111.196 -179.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -74.76 -42.18 58.66 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.953 -176.689 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 23.5 m-80 -62.98 -34.35 77.33 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.074 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.415 ' O ' HG23 ' A' ' 86' ' ' VAL . 74.0 t80 -65.02 -45.46 85.39 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.352 177.715 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 92.0 mt -62.88 -45.39 92.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.784 179.457 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.592 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 43.9 tt0 -63.33 -38.28 90.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.193 177.13 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.836 ' HA ' HE21 ' A' ' 88' ' ' GLN . 7.2 tt -58.54 -54.15 50.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.983 -0.553 . . . . 0.0 109.997 178.388 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 82' ' ' PHE . 66.4 t -58.91 -40.83 81.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.723 0.296 . . . . 0.0 110.871 -179.407 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 57.5 tp -58.54 -57.63 12.13 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.967 -0.56 . . . . 0.0 111.847 -177.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.836 HE21 ' HA ' ' A' ' 85' ' ' LEU . 3.5 pp0? -80.06 -8.55 59.44 Favored 'General case' 0 C--N 1.33 -0.27 0 N-CA-C 112.563 0.579 . . . . 0.0 112.563 -173.748 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 73.0 m -67.34 -26.31 66.43 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-O 120.685 0.279 . . . . 0.0 110.525 176.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -80.72 -55.91 4.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.908 0.385 . . . . 0.0 110.887 177.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.447 HG23 ' H ' ' A' ' 93' ' ' HIS . 19.1 m -75.22 -15.69 15.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 N-CA-C 112.438 0.532 . . . . 0.0 112.438 -174.207 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 43.7 m170 64.78 24.93 12.9 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.74 0.416 . . . . 0.0 110.77 178.517 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.447 ' H ' HG23 ' A' ' 91' ' ' VAL . 14.4 t60 -84.53 55.96 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.325 0.583 . . . . 0.0 110.947 -173.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 98' ' ' ARG . 18.7 tt -157.63 146.52 10.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.433 178.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 45.8 m-70 -88.34 46.03 1.34 Allowed 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 112.249 0.463 . . . . 0.0 112.249 -174.023 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.566 ' HE3' ' HB3' ' A' ' 28' ' ' LYS . 46.5 mttp 69.91 -65.76 0.3 Allowed 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 114.324 1.231 . . . . 0.0 114.324 167.372 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.556 ' HG3' ' N ' ' A' ' 98' ' ' ARG . 36.1 pttt -56.25 -46.48 79.59 Favored 'General case' 0 N--CA 1.465 0.317 0 N-CA-C 112.491 0.552 . . . . 0.0 112.491 -170.517 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.556 ' N ' ' HG3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -71.44 -22.81 61.79 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.934 0.397 . . . . 0.0 110.263 -175.669 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.463 ' CE2' ' HA ' ' A' ' 21' ' ' ALA . 86.1 t80 -64.29 -44.63 91.05 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.101 -0.5 . . . . 0.0 109.834 177.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 50.8 mtpt -67.22 -38.16 84.81 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.414 179.056 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -56.92 -50.64 71.93 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.606 -0.724 . . . . 0.0 110.559 176.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 78.6 mt -61.43 -51.24 75.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.556 176.715 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 45.4 m -56.44 -43.27 79.29 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.246 -177.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -65.12 -49.78 68.63 Favored 'General case' 0 N--CA 1.45 -0.427 0 CA-C-N 116.577 -0.283 . . . . 0.0 110.603 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.7 m -58.39 -37.13 74.64 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.209 179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.554 HG13 HG13 ' A' ' 78' ' ' VAL . 73.9 t -72.2 -52.43 24.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.99 177.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.405 HD23 ' HA ' ' A' ' 107' ' ' LEU . 17.8 mt -60.8 -38.13 84.33 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 112.217 0.451 . . . . 0.0 112.217 -176.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 73.7 t80 -58.8 -49.51 77.43 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-O 120.895 0.379 . . . . 0.0 110.053 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.41 ' HB ' HG21 ' A' ' 78' ' ' VAL . 28.5 m -64.25 -39.42 93.91 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.902 -0.59 . . . . 0.0 110.748 -179.759 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 74.0 mt -61.76 -44.28 97.2 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.67 177.284 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -63.07 -35.31 79.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.67 178.382 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.402 ' HB1' ' CB ' ' A' ' 69' ' ' TYR . . . -61.46 -49.41 76.92 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.222 178.808 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 39.0 t -70.68 -38.57 73.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 121.527 0.68 . . . . 0.0 110.032 -178.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -57.84 -39.9 78.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 114.884 -1.053 . . . . 0.0 110.544 179.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -72.06 -51.2 22.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.399 -0.364 . . . . 0.0 111.082 -178.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -57.92 -45.68 86.16 Favored 'General case' 0 C--O 1.234 0.255 0 O-C-N 123.157 0.285 . . . . 0.0 111.759 -177.315 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.411 ' HB ' HD13 ' A' ' 7' ' ' LEU . 65.4 mt -64.94 -47.05 89.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.808 0.337 . . . . 0.0 111.027 -179.357 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -67.95 -28.48 67.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 121.058 0.456 . . . . 0.0 110.771 -179.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 50.2 ttm-85 -70.3 -30.84 67.94 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 115.708 -0.678 . . . . 0.0 111.043 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -80.58 -35.7 33.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.981 -0.554 . . . . 0.0 112.233 -179.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . 0.457 ' CG ' ' H ' ' A' ' 122' ' ' SER . 7.3 t70 -96.79 -170.29 2.03 Favored 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 120.436 -0.506 . . . . 0.0 110.727 -178.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.457 ' H ' ' CG ' ' A' ' 121' ' ' ASP . 14.9 m -95.38 142.45 27.75 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.731 -172.003 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.45 ' HD3' ' N ' ' A' ' 123' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.441 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.233 178.009 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.0 mmt . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 120.668 0.271 . . . . 0.0 110.521 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -101.77 95.61 6.52 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.03 0.443 . . . . 0.0 110.216 179.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 t -138.17 -2.59 1.84 Allowed 'General case' 0 C--N 1.323 -0.571 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.124 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 45.7 mt-30 -109.3 -170.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.17 -179.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.3 m 63.04 -92.34 0.03 OUTLIER 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.647 177.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.44 ' HG ' HD13 ' A' ' 117' ' ' ILE . 40.8 tp -95.62 -29.84 14.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.829 0.347 . . . . 0.0 110.504 -176.322 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.499 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 3.1 mm? -68.24 -48.86 63.98 Favored 'General case' 0 C--O 1.218 -0.592 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.24 -179.487 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -48.7 -42.75 35.96 Favored 'General case' 0 C--N 1.33 -0.281 0 O-C-N 123.785 0.678 . . . . 0.0 112.441 -173.002 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 60.3 mtm -63.51 -42.69 98.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.868 0.366 . . . . 0.0 110.694 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.452 ' O ' HG13 ' A' ' 14' ' ' ILE . 18.0 m -69.15 -47.34 65.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.341 178.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.499 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 16.7 mm-40 -52.18 -44.82 64.85 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.173 0.511 . . . . 0.0 110.616 176.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.438 ' O ' HG23 ' A' ' 16' ' ' VAL . 57.1 tp60 -60.39 -49.46 77.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.549 -0.751 . . . . 0.0 110.838 177.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 64.1 mtt -61.1 -38.48 86.45 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.243 -178.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.452 HG13 ' O ' ' A' ' 10' ' ' THR . 84.3 mt -61.58 -48.89 86.69 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 120.825 0.345 . . . . 0.0 110.581 178.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.1 tp10 -61.04 -45.96 92.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.755 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 12' ' ' GLN . 85.5 t -61.65 -48.29 89.42 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.689 179.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.64 -45.22 94.92 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.131 -179.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -61.19 -51.24 69.83 Favored 'General case' 0 N--CA 1.45 -0.46 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.394 177.62 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.563 ' HE3' ' N ' ' A' ' 19' ' ' LYS . 0.1 OUTLIER -67.78 -29.35 68.52 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.209 -176.659 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.78 -46.79 71.71 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.705 -0.76 . . . . 0.0 111.955 176.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -67.45 -38.45 84.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.015 0.436 . . . . 0.0 110.357 177.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -59.42 -45.07 92.57 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.325 176.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.411 HH21 ' HA ' ' A' ' 29' ' ' ASN . 3.6 tmt_? -65.84 -35.82 81.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.408 -0.815 . . . . 0.0 110.227 179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -68.78 -36.87 78.84 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.611 177.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -65.11 -32.47 74.18 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.755 -178.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.6 mm-40 -87.02 -38.17 16.81 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.174 176.388 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 70.21 27.12 73.29 Favored Glycine 0 C--N 1.332 0.315 0 N-CA-C 111.009 -0.837 . . . . 0.0 111.009 -174.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 41.7 tttp -83.81 108.89 17.12 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.078 -0.561 . . . . 0.0 110.838 -172.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.411 ' HA ' HH21 ' A' ' 23' ' ' ARG . 20.0 p-10 -107.14 103.95 13.47 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 121.306 0.574 . . . . 0.0 109.816 176.153 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 19.0 t -94.17 111.68 23.42 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.394 -177.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 10.1 m120 66.44 -174.89 0.19 Allowed 'General case' 0 N--CA 1.463 0.177 0 CA-C-N 115.41 -0.814 . . . . 0.0 110.642 177.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 53.8 m80 -106.54 51.4 0.75 Allowed 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.339 0.59 . . . . 0.0 109.936 178.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 10.1 m -93.88 10.25 34.04 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.635 -178.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 92.5 m-85 -108.24 24.38 13.09 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.49 -176.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.47 61.21 1.25 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.05 -0.523 . . . . 0.0 112.196 -177.563 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 10.5 t80 56.36 -84.48 0.02 OUTLIER 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.305 1.042 . . . . 0.0 112.586 174.048 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 74.9 m-85 -71.09 -2.61 16.2 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 112.338 0.495 . . . . 0.0 112.338 -171.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 40.2 mm-40 -76.76 -83.18 0.07 Allowed 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.12 0.486 . . . . 0.0 110.916 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.2 p -95.24 -26.72 15.84 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.21 -177.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 13.0 mt -84.75 52.19 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 121.658 0.742 . . . . 0.0 110.256 -176.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.457 ' HB3' ' CD ' ' A' ' 42' ' ' PRO . 86.7 tttt -144.59 -66.2 0.02 OUTLIER Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.687 177.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.457 ' CD ' ' HB3' ' A' ' 41' ' ' LYS . 20.7 Cg_endo -60.33 -47.33 14.76 Favored 'Trans proline' 0 C--N 1.361 1.227 0 C-N-CA 121.647 1.564 . . . . 0.0 112.044 -176.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.29 -38.28 90.48 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.864 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.8 t -64.53 -48.33 85.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.578 -179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.97 -42.98 99.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.265 179.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.458 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 7.5 mm-40 -58.37 -51.63 68.98 Favored 'General case' 0 N--CA 1.451 -0.41 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.495 177.461 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 42.1 m-80 -70.46 -25.72 63.3 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.612 -0.267 . . . . 0.0 111.358 -177.639 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -65.23 -52.57 53.7 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.959 0.409 . . . . 0.0 109.961 176.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -67.7 -34.56 77.13 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.101 178.303 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.458 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 10.8 tp -59.09 -49.64 77.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.385 -0.825 . . . . 0.0 109.92 177.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.469 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -62.63 -32.0 72.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.887 -0.597 . . . . 0.0 111.466 -179.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.16 -57.26 9.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.642 179.208 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.06 -35.63 81.78 Favored 'General case' 0 N--CA 1.445 -0.688 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.9 179.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 76.3 t90 -62.29 -49.27 76.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.174 179.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -61.02 -42.31 98.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.741 178.674 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -60.17 -43.82 95.53 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.347 178.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.49 -37.86 69.15 Favored Glycine 0 N--CA 1.449 -0.435 0 C-N-CA 120.842 -0.694 . . . . 0.0 112.36 178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.545 ' HB1' HD13 ' A' ' 75' ' ' ILE . . . -67.96 -45.72 73.42 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.884 0.373 . . . . 0.0 110.851 179.26 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 49.9 mt -61.22 -35.44 77.21 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.842 177.045 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.5 ' O ' HG23 ' A' ' 64' ' ' VAL . 8.0 tp10 -62.06 -53.67 52.28 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.944 173.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 40.6 tp -57.06 -48.67 77.99 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.298 -0.864 . . . . 0.0 111.66 -174.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.516 HD13 HD12 ' A' ' 75' ' ' ILE . 39.3 pt -68.67 -28.63 40.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 112.727 0.64 . . . . 0.0 112.727 -172.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 17.4 pttm -83.47 -22.31 32.59 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 119.511 -0.876 . . . . 0.0 110.598 179.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 60' ' ' GLU . 65.0 t -83.23 -43.92 18.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-O 120.883 0.373 . . . . 0.0 110.24 177.368 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.403 ' NH1' ' HA ' ' A' ' 120' ' ' GLU . 7.6 ptm180 -130.87 131.12 44.36 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.494 . . . . 0.0 109.832 176.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.0 mtm180 -73.82 119.22 75.0 Favored Pre-proline 0 C--N 1.322 -0.607 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.355 -179.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -78.69 159.01 28.34 Favored 'Trans proline' 0 C--O 1.236 0.393 0 C-N-CA 123.307 2.671 . . . . 0.0 112.917 -177.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -102.97 -30.58 10.7 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.554 -0.748 . . . . 0.0 111.185 -176.329 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 88.6 m-85 -107.23 -57.11 2.12 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.047 0.451 . . . . 0.0 110.658 -176.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.8 p -75.99 154.21 6.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.5 -176.444 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 54.8 m80 -133.57 155.29 49.89 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.012 -179.037 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -56.49 -43.05 79.29 Favored 'General case' 0 C--N 1.327 -0.399 0 O-C-N 123.716 0.635 . . . . 0.0 110.61 -178.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -60.24 -37.38 80.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.952 -179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 16.1 mm100 -69.13 -45.16 70.81 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.992 -0.549 . . . . 0.0 111.765 -176.568 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.545 HD13 ' HB1' ' A' ' 58' ' ' ALA . 73.3 mt -57.72 -41.61 79.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.392 -0.367 . . . . 0.0 111.588 -174.121 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -71.13 -38.49 72.28 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.163 0.506 . . . . 0.0 110.35 -178.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.4 -44.42 78.9 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.826 179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.402 HG21 HG21 ' A' ' 109' ' ' THR . 76.7 t -65.5 -39.89 86.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.234 -178.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.469 ' HG3' ' HB1' ' A' ' 51' ' ' ALA . 75.7 tttt -54.37 -43.75 71.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.187 0.518 . . . . 0.0 111.01 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -77.31 -51.49 10.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.86 -0.609 . . . . 0.0 111.135 179.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 26.1 m-80 -62.23 -25.6 67.9 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.303 -0.408 . . . . 0.0 112.06 -176.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.477 ' O ' HG23 ' A' ' 86' ' ' VAL . 77.2 t80 -65.08 -49.12 71.28 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.882 0.373 . . . . 0.0 110.074 176.169 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 48.3 mt -64.78 -39.6 93.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.393 178.397 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 7.4 mm-40 -59.34 -46.72 87.85 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.725 -0.671 . . . . 0.0 110.478 175.117 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.41 ' HA ' ' HG2' ' A' ' 88' ' ' GLN . 5.4 tt -59.1 -46.14 89.07 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.685 -0.688 . . . . 0.0 110.545 -178.503 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 82' ' ' PHE . 84.1 t -56.53 -49.48 77.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.713 179.083 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 60.0 tp -63.07 -46.62 86.58 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.256 -178.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.416 HE21 ' HB3' ' A' ' 88' ' ' GLN . 2.4 pt20 -74.36 -16.33 60.91 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.589 -175.421 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 24.6 t -72.34 -32.17 66.26 Favored 'General case' 0 C--O 1.236 0.386 0 CA-C-O 120.913 0.387 . . . . 0.0 110.611 178.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -78.28 -57.8 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.143 179.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.5 m -87.79 -12.05 10.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 112.543 0.572 . . . . 0.0 112.543 -172.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 66.0 m170 61.6 38.78 15.2 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-O 120.954 0.407 . . . . 0.0 111.039 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 48.8 t60 -87.2 64.24 8.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.215 0.531 . . . . 0.0 110.058 -179.094 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 15.0 tt -178.6 162.05 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 115.238 -0.892 . . . . 0.0 108.736 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 81.5 m-70 -98.14 162.62 13.11 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.846 -0.342 . . . . 0.0 110.804 -178.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 53.5 mtpt -56.24 -56.89 15.45 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 113.205 0.816 . . . . 0.0 113.205 -168.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 51.6 tttm -64.46 -33.74 76.58 Favored 'General case' 0 C--O 1.236 0.354 0 CA-C-O 120.697 0.284 . . . . 0.0 111.568 -171.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.1 tpp180 -76.39 -39.12 54.54 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 110.234 -0.284 . . . . 0.0 110.234 -179.613 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -60.68 -44.84 96.02 Favored 'General case' 0 C--O 1.234 0.267 0 CA-C-O 120.964 0.411 . . . . 0.0 109.906 176.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.417 ' HD2' ' O ' ' A' ' 100' ' ' LYS . 0.4 OUTLIER -60.97 -43.06 99.32 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.709 -0.678 . . . . 0.0 109.844 178.723 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -59.48 -51.57 69.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.026 -0.534 . . . . 0.0 111.006 -179.677 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.441 ' O ' HG23 ' A' ' 106' ' ' VAL . 79.7 mt -60.83 -49.12 85.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.716 -0.674 . . . . 0.0 110.732 179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.6 m -56.4 -46.85 79.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.926 179.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -61.04 -48.63 80.89 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.695 179.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 30.3 t -56.32 -45.34 80.36 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.737 -0.665 . . . . 0.0 110.897 178.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.446 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 94.9 t -64.24 -54.01 36.33 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.94 179.555 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.34 -42.68 92.07 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.552 -179.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 71.1 t80 -60.02 -46.72 88.57 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 0.0 110.2 179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.516 ' O ' HG23 ' A' ' 113' ' ' VAL . 41.6 m -65.03 -40.85 95.43 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.763 179.135 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 89.3 mt -60.41 -41.57 94.2 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.617 0.246 . . . . 0.0 110.671 177.435 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 36.7 m170 -61.7 -39.2 90.64 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.262 177.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -67.22 -46.46 73.75 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.627 -0.715 . . . . 0.0 111.352 -179.154 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 117' ' ' ILE . 61.9 t -68.45 -43.78 83.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 121.181 0.515 . . . . 0.0 109.92 -176.804 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 6.3 tmtm? -55.23 -45.69 75.99 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.151 -0.931 . . . . 0.0 110.313 179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -64.08 -52.87 57.2 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.463 -178.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.442 ' HA ' ' HB3' ' A' ' 119' ' ' ARG . 26.3 mt-10 -67.17 -33.96 76.51 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 111.992 0.367 . . . . 0.0 111.992 -172.527 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.519 HG13 ' O ' ' A' ' 113' ' ' VAL . 68.5 mt -61.44 -42.25 93.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.069 175.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.425 ' HB3' ' HD3' ' A' ' 123' ' ' ARG . . . -81.25 -20.94 39.88 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 121.192 0.52 . . . . 0.0 110.651 178.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.442 ' HB3' ' HA ' ' A' ' 116' ' ' GLU . 18.3 ttm180 -90.48 5.22 48.55 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.035 -0.529 . . . . 0.0 110.921 -178.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.403 ' HA ' ' NH1' ' A' ' 65' ' ' ARG . 9.9 pt-20 -52.16 -35.13 47.76 Favored 'General case' 0 C--O 1.235 0.315 0 CA-C-O 120.783 0.325 . . . . 0.0 110.498 173.516 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -126.62 -81.37 0.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.12 174.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 17.1 m -147.67 121.61 9.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.489 -0.323 . . . . 0.0 111.531 -177.083 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.425 ' HD3' ' HB3' ' A' ' 118' ' ' ALA . 38.6 ptt85 . . . . . 0 C--N 1.327 -0.401 0 N-CA-C 109.145 -0.687 . . . . 0.0 109.145 168.73 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.8 mtp . . . . . 0 N--CA 1.477 0.901 0 CA-C-O 120.873 0.368 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -89.79 127.59 35.99 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 109.233 -0.655 . . . . 0.0 109.233 179.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 m -86.9 82.51 7.78 Favored 'General case' 0 C--N 1.321 -0.646 0 C-N-CA 120.806 -0.358 . . . . 0.0 111.31 -175.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -81.22 126.47 31.56 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 171.078 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -75.7 126.09 30.32 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-O 121.213 0.53 . . . . 0.0 111.717 -174.886 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 56.0 tp -66.26 -43.61 85.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.348 -0.842 . . . . 0.0 110.821 -176.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 43.8 tp -64.67 -44.51 90.12 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.751 -177.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.444 ' HA ' ' HB2' ' A' ' 11' ' ' GLU . 38.1 mt-10 -63.7 -34.59 78.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.613 -0.267 . . . . 0.0 111.49 -179.538 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 52.5 ttp -62.0 -43.59 98.51 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.472 ' O ' HG13 ' A' ' 14' ' ' ILE . 23.9 m -69.8 -42.84 73.19 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.989 -0.551 . . . . 0.0 110.225 176.451 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.444 ' HB2' ' HA ' ' A' ' 8' ' ' GLU . 34.6 mm-40 -53.25 -41.27 65.31 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.455 177.718 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -63.17 -49.53 73.93 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.088 -0.506 . . . . 0.0 109.767 178.58 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 89.5 mtp -59.81 -41.48 91.35 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.215 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 10' ' ' THR . 74.5 mt -64.55 -48.96 82.74 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.838 -178.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -59.61 -42.13 91.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.165 -176.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 12' ' ' GLN . 88.1 t -61.54 -43.96 97.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.23 0 CA-C-O 120.817 0.342 . . . . 0.0 110.58 178.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.401 ' HB3' HD21 ' A' ' 107' ' ' LEU . . . -65.5 -40.69 93.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.446 ' HG3' ' O ' ' A' ' 14' ' ' ILE . 48.6 mt-10 -62.05 -45.5 93.25 Favored 'General case' 0 N--CA 1.451 -0.418 0 CA-C-O 120.971 0.415 . . . . 0.0 110.691 177.237 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 97.5 mttt -64.25 -43.9 93.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.69 -0.686 . . . . 0.0 110.833 178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -60.32 -49.03 83.02 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 121.133 -0.556 . . . . 0.0 112.109 178.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.625 ' HB2' HG21 ' A' ' 103' ' ' THR . . . -59.94 -47.72 84.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.952 0.406 . . . . 0.0 110.76 178.291 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -60.93 -44.57 97.03 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.31 -179.463 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.424 ' HA ' ' HD2' ' A' ' 23' ' ' ARG . 10.6 tpt85 -66.69 -39.54 88.15 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.234 0.54 . . . . 0.0 110.253 -177.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.622 ' HE1' ' HA ' ' A' ' 96' ' ' LYS . 21.6 t80 -68.0 -36.39 79.9 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.446 -0.797 . . . . 0.0 110.245 179.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -69.23 -34.77 75.34 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.188 -178.04 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -73.08 -41.34 64.21 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 176.014 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 109.42 -97.56 1.06 Allowed Glycine 0 N--CA 1.445 -0.735 0 C-N-CA 120.847 -0.692 . . . . 0.0 112.309 177.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 16.5 ptpt -176.22 172.28 2.35 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 110.05 -0.352 . . . . 0.0 110.05 -177.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 44.8 t-20 -132.22 -87.95 0.45 Allowed 'General case' 0 C--N 1.321 -0.647 0 N-CA-C 108.534 -0.913 . . . . 0.0 108.534 170.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 14.4 p -119.29 4.32 11.27 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.644 0.735 . . . . 0.0 109.501 172.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 11.7 m120 -84.18 117.0 23.22 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.135 -0.939 . . . . 0.0 110.23 -179.154 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.4 p-80 -161.52 43.6 0.16 Allowed 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.491 0.662 . . . . 0.0 109.847 179.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 44.1 t -79.56 85.6 5.29 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.084 -0.962 . . . . 0.0 110.565 -178.086 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.655 ' HA ' ' HB2' ' A' ' 38' ' ' GLU . 14.6 p90 -173.26 139.42 0.78 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.921 -0.582 . . . . 0.0 110.7 179.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -151.13 71.01 1.0 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-O 121.26 0.552 . . . . 0.0 109.725 169.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 65.2 t80 72.27 -16.39 0.43 Allowed 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 114.976 -1.011 . . . . 0.0 113.0 175.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 18.3 t80 -121.79 -45.96 2.25 Favored 'General case' 0 CA--C 1.534 0.356 0 O-C-N 121.552 -0.718 . . . . 0.0 112.658 -176.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.655 ' HB2' ' HA ' ' A' ' 34' ' ' TYR . 7.7 mm-40 -40.46 -74.18 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 113.582 0.956 . . . . 0.0 113.582 -174.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.9 p -92.23 -7.22 48.83 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.197 0.522 . . . . 0.0 111.245 -177.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.489 ' O ' HG22 ' A' ' 40' ' ' ILE . 4.1 mp -93.92 10.94 3.97 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-O 121.963 0.887 . . . . 0.0 109.989 -175.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.555 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 57.7 tptt -106.53 -66.82 0.04 OUTLIER Pre-proline 0 CA--C 1.54 0.58 0 CA-C-N 115.873 -0.603 . . . . 0.0 111.181 175.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.555 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 46.4 Cg_endo -67.1 -45.41 3.97 Favored 'Trans proline' 0 C--N 1.357 1.023 0 C-N-CA 121.721 1.614 . . . . 0.0 112.806 -173.607 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -64.41 -38.17 90.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.2 -177.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 95.8 t -66.89 -47.98 81.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.852 -178.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 49.1 mt-10 -56.71 -46.66 81.14 Favored 'General case' 0 CA--C 1.53 0.209 0 CA-C-O 120.824 0.345 . . . . 0.0 111.228 -179.36 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 7.3 mm-40 -61.63 -52.93 62.33 Favored 'General case' 0 N--CA 1.448 -0.526 0 CA-C-N 116.0 -0.545 . . . . 0.0 112.058 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 52.4 m-80 -76.28 -25.98 55.45 Favored 'General case' 0 C--N 1.327 -0.404 0 N-CA-C 112.094 0.405 . . . . 0.0 112.094 -172.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.58 ' HA ' HD21 ' A' ' 83' ' ' LEU . 36.6 t70 -61.95 -50.45 72.07 Favored 'General case' 0 N--CA 1.465 0.309 0 N-CA-C 109.923 -0.399 . . . . 0.0 109.923 175.502 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -62.31 -47.65 83.33 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.919 172.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.413 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 6.5 tp -55.2 -52.18 64.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.496 -0.775 . . . . 0.0 111.54 -176.344 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.57 -40.09 94.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.584 -0.28 . . . . 0.0 111.519 -177.87 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.95 -43.91 86.58 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-O 121.162 0.506 . . . . 0.0 110.752 -179.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.446 HH11 ' HD2' ' A' ' 53' ' ' ARG . 4.2 ttt85 -65.89 -41.97 90.88 Favored 'General case' 0 N--CA 1.447 -0.612 0 CA-C-N 115.533 -0.758 . . . . 0.0 110.466 178.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 83.1 t90 -61.1 -48.59 80.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.683 -0.69 . . . . 0.0 110.484 179.062 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.8 -45.91 85.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.169 -179.694 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -59.48 -46.88 87.52 Favored 'General case' 0 N--CA 1.45 -0.43 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.544 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.04 -40.83 83.36 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.376 179.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.04 -40.34 96.09 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.647 0.261 . . . . 0.0 111.047 179.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.4 HD23 ' HA ' ' A' ' 59' ' ' LEU . 30.4 mt -60.78 -38.01 83.84 Favored 'General case' 0 N--CA 1.449 -0.517 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.993 177.183 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -68.92 -40.97 78.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 121.051 0.453 . . . . 0.0 109.832 177.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.4 tp -60.85 -50.9 71.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.802 -0.636 . . . . 0.0 111.413 -178.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 34.8 pt -72.52 -18.05 18.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 CA-C-O 120.949 0.404 . . . . 0.0 111.432 -177.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 42.0 tttt -81.96 -50.43 9.15 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.933 178.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 85.9 t -83.55 -37.25 13.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-N 115.528 -0.76 . . . . 0.0 111.573 -174.637 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.455 ' HE ' ' CD ' ' A' ' 120' ' ' GLU . 30.0 tpt180 -100.53 -99.83 0.25 Allowed 'General case' 0 C--N 1.324 -0.535 0 C-N-CA 120.945 -0.302 . . . . 0.0 111.171 -176.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 24.2 mmm180 -155.34 134.62 7.75 Favored Pre-proline 0 C--N 1.328 -0.329 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 -172.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -92.32 104.02 0.2 Allowed 'Trans proline' 0 N--CA 1.451 -0.985 0 C-N-CA 122.799 2.333 . . . . 0.0 110.565 168.423 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.643 ' HE3' ' OE1' ' A' ' 116' ' ' GLU . 8.3 mtmt -93.8 -58.12 2.35 Favored 'General case' 0 C--N 1.322 -0.609 0 C-N-CA 120.962 -0.295 . . . . 0.0 111.473 -174.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.487 ' CB ' ' HB1' ' A' ' 112' ' ' ALA . 71.2 m-85 -105.36 -54.0 2.56 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.281 0.562 . . . . 0.0 109.745 178.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 7.8 p -74.03 154.09 6.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.918 -178.815 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -123.99 164.91 18.39 Favored 'General case' 0 C--N 1.326 -0.424 0 N-CA-C 109.463 -0.569 . . . . 0.0 109.463 179.282 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.5 tmtt? -57.3 -38.92 74.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.884 0.373 . . . . 0.0 110.27 179.591 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -59.5 -44.62 93.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.644 177.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.42 ' O ' HG23 ' A' ' 78' ' ' VAL . 14.9 mm100 -66.93 -37.07 83.65 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 115.543 -0.753 . . . . 0.0 111.838 -175.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.3 mm -58.25 -45.01 89.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 120.919 0.39 . . . . 0.0 110.971 -178.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -72.27 -29.78 64.22 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.453 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.01 -47.79 60.72 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.702 179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.537 HG13 HG13 ' A' ' 106' ' ' VAL . 98.4 t -61.47 -41.56 90.52 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.683 -179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 33.7 tttm -52.8 -54.27 36.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.799 179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -76.59 -38.47 54.79 Favored 'General case' 0 N--CA 1.443 -0.817 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.436 -175.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 69.3 m-20 -66.51 -33.92 76.77 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.253 -179.598 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 35.6 t80 -64.23 -36.68 84.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.914 0.387 . . . . 0.0 110.516 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.58 HD21 ' HA ' ' A' ' 48' ' ' ASP . 58.8 mt -65.23 -48.87 71.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.204 178.728 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.448 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 46.2 mt-10 -61.17 -40.68 94.79 Favored 'General case' 0 C--N 1.329 -0.293 0 C-N-CA 120.874 -0.33 . . . . 0.0 110.211 177.181 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.548 HD11 HG23 ' A' ' 103' ' ' THR . 6.7 tt -52.56 -53.45 46.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.702 -179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 68.3 t -60.23 -46.08 95.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.011 -179.664 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.2 tp -63.73 -52.08 62.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.686 -176.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.448 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 4.6 pt20 -71.75 -18.81 62.11 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.466 -174.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.8 t -66.13 -40.81 90.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.319 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 30.0 m-85 -80.31 -49.73 11.16 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.463 -0.335 . . . . 0.0 111.448 -177.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.426 HG22 ' HA ' ' A' ' 88' ' ' GLN . 31.6 m -73.93 -21.53 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.332 -0.395 . . . . 0.0 112.035 -174.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 38.0 m80 56.46 56.12 5.94 Favored 'General case' 0 C--O 1.234 0.279 0 CA-C-O 121.319 0.58 . . . . 0.0 110.188 -178.415 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 45.5 t60 -74.03 -11.98 60.49 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.355 -0.839 . . . . 0.0 110.679 -175.152 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.691 HD12 ' HB2' ' A' ' 98' ' ' ARG . 10.6 pt -132.52 -178.36 2.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.333 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -80.64 -70.38 0.53 Allowed 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.536 -0.302 . . . . 0.0 111.702 -178.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.622 ' HA ' ' HE1' ' A' ' 24' ' ' TYR . 38.4 ttmt -162.6 -60.54 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.204 0 N-CA-C 112.576 0.584 . . . . 0.0 112.576 -173.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -52.74 -47.6 67.3 Favored 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 113.047 0.758 . . . . 0.0 113.047 -169.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.691 ' HB2' HD12 ' A' ' 94' ' ' ILE . 42.5 mtp180 -60.79 -40.41 92.55 Favored 'General case' 0 C--N 1.331 -0.218 0 C-N-CA 120.928 -0.309 . . . . 0.0 110.952 -175.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.525 ' HB2' HD11 ' A' ' 94' ' ' ILE . 85.6 t80 -69.33 -44.52 71.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.067 0.461 . . . . 0.0 110.245 179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 4.5 tmtm? -58.45 -47.93 82.39 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.366 -0.834 . . . . 0.0 110.485 -179.375 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -58.95 -52.47 65.63 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.839 -0.619 . . . . 0.0 110.92 178.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.468 ' O ' HG23 ' A' ' 106' ' ' VAL . 82.8 mt -57.83 -51.57 68.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.993 -179.657 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.625 HG21 ' HB2' ' A' ' 21' ' ' ALA . 27.1 m -60.6 -42.09 96.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.961 0.41 . . . . 0.0 111.186 -176.185 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -66.61 -43.26 85.25 Favored 'General case' 0 N--CA 1.444 -0.731 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.305 -179.699 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 37.1 m -60.76 -38.65 85.93 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.742 177.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.537 HG13 HG13 ' A' ' 78' ' ' VAL . 88.1 t -66.65 -51.17 59.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.831 176.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.401 HD21 ' HB3' ' A' ' 17' ' ' ALA . 67.3 mt -57.01 -45.12 83.28 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-O 120.765 0.317 . . . . 0.0 111.178 178.531 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 36.4 t80 -55.37 -43.52 75.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.592 178.701 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.403 ' O ' HG23 ' A' ' 113' ' ' VAL . 25.1 m -74.36 -35.31 63.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.063 -0.517 . . . . 0.0 111.171 -178.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 83.3 mt -63.49 -42.19 98.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.793 0.33 . . . . 0.0 110.882 178.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 48.6 m-70 -67.9 -30.38 69.71 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.404 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.487 ' HB1' ' CB ' ' A' ' 69' ' ' TYR . . . -62.53 -49.03 76.92 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.456 177.006 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 117' ' ' ILE . 47.5 t -63.5 -47.37 91.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.117 179.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -56.72 -47.15 80.62 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.556 -0.747 . . . . 0.0 111.488 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 19.8 t70 -60.01 -46.77 88.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.257 -176.159 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.643 ' OE1' ' HE3' ' A' ' 68' ' ' LYS . 13.6 pt-20 -72.3 -25.99 61.79 Favored 'General case' 0 C--N 1.328 -0.356 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 -176.507 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.467 HG13 ' O ' ' A' ' 113' ' ' VAL . 85.0 mt -67.24 -53.06 36.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-O 120.963 0.411 . . . . 0.0 110.298 172.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -66.27 -31.34 72.08 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-O 121.323 0.582 . . . . 0.0 110.679 179.502 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 52.1 ttm-85 -63.21 -33.69 76.04 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.508 -0.769 . . . . 0.0 110.307 177.324 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.455 ' CD ' ' HE ' ' A' ' 65' ' ' ARG . 3.4 tp10 -72.64 -53.85 10.66 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.359 178.7 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -146.68 137.14 23.8 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.414 -0.357 . . . . 0.0 111.695 -179.047 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 73.4 m -154.66 9.55 0.34 Allowed 'General case' 0 N--CA 1.463 0.211 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.283 174.483 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 8.4 tpp180 . . . . . 0 C--N 1.328 -0.352 0 C-N-CA 120.883 -0.327 . . . . 0.0 111.244 -176.278 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 91.7 mtp . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 35.1 tp -61.69 134.08 56.35 Favored 'General case' 0 C--N 1.327 -0.411 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.3 m -81.55 106.68 13.69 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.999 -177.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.714 HE21 HG23 ' A' ' 117' ' ' ILE . 0.2 OUTLIER -112.09 103.36 11.54 Favored 'General case' 0 C--N 1.323 -0.554 0 N-CA-C 108.459 -0.941 . . . . 0.0 108.459 177.762 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.409 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 11.6 m -62.04 90.21 0.03 OUTLIER 'General case' 0 C--O 1.239 0.532 0 O-C-N 123.829 0.706 . . . . 0.0 111.602 -174.281 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.409 ' HB2' ' O ' ' A' ' 5' ' ' THR . 47.9 tp 170.54 -36.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 115.169 -0.923 . . . . 0.0 109.187 -175.462 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.523 HD11 ' HG3' ' A' ' 114' ' ' LYS . 58.9 tp -62.79 -36.51 83.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.418 -0.81 . . . . 0.0 110.731 -178.108 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.52 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 26.0 mp0 -60.9 -31.35 70.84 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.168 -0.924 . . . . 0.0 110.82 -177.346 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.475 ' CE ' ' HA ' ' A' ' 54' ' ' TRP . 52.2 ttp -68.34 -42.19 79.65 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.036 0.446 . . . . 0.0 110.049 179.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.492 ' O ' HG13 ' A' ' 14' ' ' ILE . 52.2 m -65.64 -43.78 88.41 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.052 175.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -63.58 -35.6 81.03 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.012 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -61.28 -45.28 95.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.461 175.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.559 ' SD ' HD21 ' A' ' 110' ' ' LEU . 49.4 ttm -64.6 -38.02 89.56 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.374 179.186 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.492 HG13 ' O ' ' A' ' 10' ' ' THR . 76.7 mt -57.86 -51.11 74.58 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.124 0 CA-C-O 121.184 0.516 . . . . 0.0 110.41 176.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -59.35 -51.15 71.15 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.372 -0.831 . . . . 0.0 111.634 -178.197 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 89.9 t -60.69 -43.89 95.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-O 120.67 0.272 . . . . 0.0 110.907 -177.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.82 -45.87 80.69 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.749 0.309 . . . . 0.0 111.063 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.2 mt-10 -69.44 -36.18 76.38 Favored 'General case' 0 N--CA 1.451 -0.424 0 N-CA-C 112.03 0.381 . . . . 0.0 112.03 -178.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.413 ' HA ' ' HB3' ' A' ' 22' ' ' ASP . 37.3 mttp -79.11 -26.43 42.92 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 121.056 -0.258 . . . . 0.0 111.577 178.123 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.19 -43.43 93.1 Favored Glycine 0 N--CA 1.447 -0.572 0 N-CA-C 110.572 -1.011 . . . . 0.0 110.572 171.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.453 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -66.53 -38.01 86.26 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.521 -0.339 . . . . 0.0 110.538 174.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.413 ' HB3' ' HA ' ' A' ' 19' ' ' LYS . 20.3 t70 -59.59 -43.27 93.72 Favored 'General case' 0 N--CA 1.466 0.365 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.774 177.489 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 1.9 tpm_? -58.1 -47.0 84.59 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.233 -0.44 . . . . 0.0 109.899 175.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 52.3 t80 -58.24 -40.13 80.92 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.904 176.394 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.453 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 74.7 mt-30 -64.6 -32.07 73.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.191 -179.003 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.4 ' HG3' ' O ' ' A' ' 22' ' ' ASP . 47.6 mt-10 -76.39 -20.96 56.63 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.135 0.493 . . . . 0.0 110.072 176.056 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.5 176.61 14.83 Favored Glycine 0 N--CA 1.446 -0.698 0 CA-C-N 115.487 -0.779 . . . . 0.0 111.538 177.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 42.4 pttt -77.37 82.57 3.82 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.763 0.792 . . . . 0.0 109.954 176.115 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.6 m-80 -80.55 35.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.296 -0.865 . . . . 0.0 111.304 -176.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.0 t -106.99 12.94 28.13 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 109.536 -0.542 . . . . 0.0 109.536 178.141 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 42.8 t-20 -57.94 -44.15 86.76 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.355 178.108 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.417 ' O ' ' HB2' ' A' ' 33' ' ' SER . 10.2 t-80 -131.98 129.0 39.6 Favored 'General case' 0 C--N 1.321 -0.64 0 CA-C-N 115.323 -0.853 . . . . 0.0 108.898 174.772 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.417 ' HB2' ' O ' ' A' ' 32' ' ' HIS . 50.4 m 74.99 -172.78 0.11 Allowed 'General case' 0 N--CA 1.466 0.345 0 O-C-N 123.865 0.728 . . . . 0.0 110.514 -176.468 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.1 m-85 65.77 55.07 1.0 Allowed 'General case' 0 C--O 1.233 0.236 0 CA-C-O 121.585 0.707 . . . . 0.0 110.153 -174.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.88 ' HB3' ' HG3' ' A' ' 38' ' ' GLU . 22.6 t70 -74.94 154.61 38.07 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 114.98 -1.009 . . . . 0.0 110.314 179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -52.59 -46.01 66.76 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.672 -0.694 . . . . 0.0 111.39 179.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 94.3 m-85 -79.72 -16.77 55.01 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.648 0.261 . . . . 0.0 111.477 -173.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.88 ' HG3' ' HB3' ' A' ' 35' ' ' ASP . 59.1 mt-10 -72.17 -44.34 63.18 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.285 0.564 . . . . 0.0 110.473 177.555 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.0 m -106.22 -45.3 4.34 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.287 -0.869 . . . . 0.0 111.865 -170.214 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 28.2 mm -84.83 62.76 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.507 0.67 . . . . 0.0 111.189 -171.428 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.509 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 27.5 tptp -166.81 -62.08 0.01 OUTLIER Pre-proline 0 C--N 1.326 -0.416 0 CA-C-N 115.543 -0.753 . . . . 0.0 110.475 171.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.509 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 30.2 Cg_endo -63.48 -41.4 26.12 Favored 'Trans proline' 0 C--N 1.358 1.044 0 C-N-CA 121.836 1.69 . . . . 0.0 111.795 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -72.12 -37.27 69.51 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.859 178.619 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 80.0 t -59.54 -40.52 82.18 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.203 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.787 -179.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.5 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 73.0 mm-40 -56.07 -44.51 79.0 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 121.317 0.58 . . . . 0.0 110.807 177.325 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -70.25 -46.64 64.02 Favored 'General case' 0 N--CA 1.442 -0.849 0 CA-C-N 115.473 -0.785 . . . . 0.0 111.164 178.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.1 m120 -54.88 -49.39 71.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.931 -0.577 . . . . 0.0 111.536 179.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -56.5 -53.98 51.15 Favored 'General case' 0 C--N 1.33 -0.275 0 O-C-N 123.543 0.527 . . . . 0.0 110.865 179.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -59.31 -41.21 88.49 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.718 -0.674 . . . . 0.0 111.243 178.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 13.5 tp -61.5 -52.95 62.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.627 -178.174 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.63 -42.14 99.42 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.848 -0.614 . . . . 0.0 111.767 -177.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.37 -46.03 81.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.903 0.382 . . . . 0.0 111.211 -179.321 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.65 -36.36 78.48 Favored 'General case' 0 N--CA 1.448 -0.537 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.725 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.475 ' HA ' ' CE ' ' A' ' 9' ' ' MET . 69.7 t90 -61.93 -43.05 99.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.389 -0.368 . . . . 0.0 110.406 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -56.93 -45.45 82.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.523 177.585 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -58.24 -48.12 81.41 Favored 'General case' 0 N--CA 1.432 -1.336 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.236 177.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.24 -43.91 98.78 Favored Glycine 0 N--CA 1.45 -0.418 0 CA-C-N 115.953 -0.567 . . . . 0.0 112.682 -179.042 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.79 -44.6 80.88 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.969 0.414 . . . . 0.0 110.982 179.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 61.4 mt -63.2 -35.03 78.95 Favored 'General case' 0 N--CA 1.449 -0.479 0 CA-C-N 116.064 -0.517 . . . . 0.0 111.059 179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.64 ' O ' ' HG2' ' A' ' 63' ' ' LYS . 8.5 tp10 -55.19 -51.14 67.49 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.76 -0.655 . . . . 0.0 110.871 176.008 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 10.8 mp -64.06 -39.77 94.8 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.881 -176.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.481 HG22 ' CG ' ' A' ' 67' ' ' PRO . 23.0 pt -72.77 -26.71 23.96 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.33 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -174.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.64 ' HG2' ' O ' ' A' ' 60' ' ' GLU . 5.6 ptmm? -81.39 -28.89 34.16 Favored 'General case' 0 N--CA 1.463 0.209 0 CA-C-O 120.922 0.391 . . . . 0.0 110.421 179.696 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 60' ' ' GLU . 95.6 t -82.22 -40.51 17.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.288 -178.379 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 12.8 ptp180 -149.72 -175.16 4.91 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.768 0.318 . . . . 0.0 111.304 -178.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.46 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 0.0 OUTLIER -96.89 120.62 61.28 Favored Pre-proline 0 C--N 1.326 -0.454 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.442 -178.141 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.481 ' CG ' HG22 ' A' ' 62' ' ' ILE . 2.0 Cg_endo -82.14 162.17 17.86 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 123.124 2.549 . . . . 0.0 111.077 173.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.541 ' HB2' ' NZ ' ' A' ' 68' ' ' LYS . 0.1 OUTLIER -105.63 -48.8 3.56 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 120.673 0.273 . . . . 0.0 111.334 -176.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 97.4 m-85 -92.98 -53.11 4.28 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.456 0.539 . . . . 0.0 112.456 -174.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 11.0 p -70.98 149.24 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.984 0.421 . . . . 0.0 111.636 -171.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 46.8 m80 -131.89 155.41 47.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.149 179.374 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 51.2 tttm -60.47 -44.06 96.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.731 -176.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 18.9 mt-10 -56.14 -35.09 66.76 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-O 121.042 0.448 . . . . 0.0 111.124 179.395 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.536 ' O ' HG23 ' A' ' 78' ' ' VAL . 13.8 mm-40 -70.15 -46.36 64.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.738 -0.664 . . . . 0.0 111.192 178.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.0 mt -58.17 -41.28 80.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 115.956 -0.565 . . . . 0.0 111.599 -177.061 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -73.02 -26.65 61.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.376 -0.374 . . . . 0.0 111.035 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -79.48 -42.04 26.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.154 -179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 74' ' ' GLN . 82.0 t -54.79 -38.34 43.7 Favored 'Isoleucine or valine' 0 C--O 1.226 -0.178 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.86 -176.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 17.9 ttpt -56.75 -51.52 68.55 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.893 0.378 . . . . 0.0 111.273 -178.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -76.2 -43.01 44.34 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.361 -176.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.523 ' HB3' HG23 ' A' ' 102' ' ' ILE . 5.7 m-20 -58.78 -37.27 75.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.22 178.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -62.91 -47.53 82.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.527 -0.306 . . . . 0.0 110.807 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 94.1 mt -60.73 -44.53 96.53 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.269 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.603 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 15.3 mm-40 -63.77 -45.41 89.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.849 176.371 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.406 ' O ' ' HB2' ' A' ' 89' ' ' SER . 6.4 tt -52.92 -52.64 57.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.471 -178.201 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 59.2 t -62.3 -46.7 95.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.912 0.387 . . . . 0.0 110.847 -178.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.497 ' O ' HG22 ' A' ' 91' ' ' VAL . 59.6 tp -59.51 -54.07 50.78 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.341 -177.339 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.603 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 26.7 pt20 -83.22 1.01 42.87 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.863 0.32 . . . . 0.0 111.863 -174.069 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.406 ' HB2' ' O ' ' A' ' 85' ' ' LEU . 21.9 t -69.74 -27.34 64.87 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 109.562 -0.532 . . . . 0.0 109.562 175.162 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -104.61 -50.92 3.19 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.756 -0.656 . . . . 0.0 111.278 -179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.497 HG22 ' O ' ' A' ' 87' ' ' LEU . 29.6 m -77.69 -33.75 19.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 N-CA-C 112.112 0.412 . . . . 0.0 112.112 -176.221 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 57.27 89.93 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.308 0.484 . . . . 0.0 112.308 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 2.2 p-80 -113.47 30.5 7.17 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.982 0.42 . . . . 0.0 111.509 178.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.435 HD11 ' HB2' ' A' ' 99' ' ' PHE . 18.0 pt -136.21 -177.92 2.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.89 -0.595 . . . . 0.0 109.708 176.704 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -93.65 -76.55 0.47 Allowed 'General case' 0 C--N 1.327 -0.394 0 C-N-CA 120.586 -0.446 . . . . 0.0 111.055 -177.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 49.5 mtpt -148.97 -66.63 0.23 Allowed 'General case' 0 N--CA 1.468 0.439 0 N-CA-C 111.987 0.365 . . . . 0.0 111.987 -177.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.6 mmtt -51.34 -45.37 62.29 Favored 'General case' 0 C--N 1.329 -0.311 0 N-CA-C 113.538 0.94 . . . . 0.0 113.538 -170.032 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -64.57 -27.25 68.82 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 111.803 0.298 . . . . 0.0 111.803 -172.012 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.435 ' HB2' HD11 ' A' ' 94' ' ' ILE . 48.9 t80 -69.6 -44.23 71.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.154 0.502 . . . . 0.0 109.814 179.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -71.5 -39.83 70.58 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.579 -0.737 . . . . 0.0 110.278 -178.836 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -62.68 -51.38 67.44 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.106 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.523 HG23 ' HB3' ' A' ' 81' ' ' ASN . 62.9 mt -58.29 -47.24 88.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.781 179.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 58.0 m -57.66 -46.15 84.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.858 0.361 . . . . 0.0 110.734 179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -62.73 -51.44 67.15 Favored 'General case' 0 N--CA 1.449 -0.488 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.03 -179.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 7.4 t -58.87 -39.49 81.53 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.873 -176.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.531 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 92.4 t -68.56 -53.95 24.39 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.176 0 CA-C-N 116.651 -0.249 . . . . 0.0 110.85 178.156 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.404 HD13 HD12 ' A' ' 110' ' ' LEU . 4.4 mm? -60.41 -38.17 83.2 Favored 'General case' 0 C--N 1.33 -0.254 0 N-CA-C 111.56 0.208 . . . . 0.0 111.56 -178.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 82.4 t80 -60.76 -43.58 97.83 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 109.949 -0.389 . . . . 0.0 109.949 178.239 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.485 ' O ' HG23 ' A' ' 113' ' ' VAL . 38.5 m -67.43 -39.49 85.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.937 -0.574 . . . . 0.0 110.542 176.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.559 HD21 ' SD ' ' A' ' 13' ' ' MET . 97.0 mt -61.79 -44.1 97.54 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.44 -0.345 . . . . 0.0 111.032 178.175 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -62.17 -38.45 89.12 Favored 'General case' 0 C--O 1.236 0.355 0 CA-C-O 121.414 0.625 . . . . 0.0 109.686 176.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.548 ' O ' ' HG2' ' A' ' 116' ' ' GLU . . . -63.19 -44.96 93.89 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 114.981 -1.009 . . . . 0.0 111.056 179.448 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.485 HG23 ' O ' ' A' ' 109' ' ' THR . 95.5 t -72.64 -32.76 42.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.19 -177.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.523 ' HG3' HD11 ' A' ' 7' ' ' LEU . 60.3 tttt -55.36 -46.74 76.45 Favored 'General case' 0 N--CA 1.452 -0.353 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.457 177.533 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -64.84 -45.68 85.08 Favored 'General case' 0 C--N 1.332 -0.157 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.99 -179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.548 ' HG2' ' O ' ' A' ' 112' ' ' ALA . 64.0 mm-40 -56.66 -48.19 78.14 Favored 'General case' 0 C--N 1.33 -0.26 0 O-C-N 123.394 0.434 . . . . 0.0 110.848 -179.741 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.714 HG23 HE21 ' A' ' 4' ' ' GLN . 76.2 mt -61.43 -45.7 98.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.765 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.37 -16.43 61.86 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.104 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.406 ' HA ' ' HD2' ' A' ' 119' ' ' ARG . 21.0 tpt180 -88.24 -20.01 26.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.565 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -63.31 -55.03 28.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.115 -0.493 . . . . 0.0 109.963 173.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 2.7 t70 62.71 32.15 16.27 Favored 'General case' 0 N--CA 1.466 0.352 0 CA-C-N 115.68 -0.691 . . . . 0.0 110.597 176.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.471 ' O ' ' HG2' ' A' ' 4' ' ' GLN . 4.1 m -141.47 169.41 17.65 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.171 -0.468 . . . . 0.0 109.792 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 74.2 mtt-85 . . . . . 0 N--CA 1.468 0.446 0 O-C-N 123.709 0.631 . . . . 0.0 112.37 176.49 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.481 1.075 0 N-CA-C 110.146 -0.316 . . . . 0.0 110.146 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 98.2 mt 74.29 -177.63 0.17 Allowed 'General case' 0 N--CA 1.468 0.451 0 O-C-N 123.794 0.684 . . . . 0.0 111.818 178.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.5 p -118.94 179.59 4.11 Favored 'General case' 0 C--O 1.236 0.367 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.276 179.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 36.4 mm-40 56.37 -144.95 0.64 Allowed 'General case' 0 N--CA 1.464 0.228 0 N-CA-C 109.649 -0.5 . . . . 0.0 109.649 -177.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.641 HG22 ' HB3' ' A' ' 8' ' ' GLU . 2.7 m 63.11 31.53 15.74 Favored 'General case' 0 CA--C 1.531 0.246 0 CA-C-O 121.397 0.618 . . . . 0.0 110.7 173.262 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.474 ' HG ' HD13 ' A' ' 117' ' ' ILE . 51.2 tp -54.82 -44.59 74.0 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 115.471 -0.786 . . . . 0.0 111.908 -174.631 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 59.1 tp -69.23 -53.27 20.76 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.711 -0.222 . . . . 0.0 110.989 -177.073 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.641 ' HB3' HG22 ' A' ' 5' ' ' THR . 34.0 tt0 -64.37 -38.43 91.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.445 -0.343 . . . . 0.0 111.455 -176.26 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 44.8 ttp -61.22 -38.51 86.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.962 0.41 . . . . 0.0 110.081 177.651 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.557 ' O ' HG13 ' A' ' 14' ' ' ILE . 37.1 m -69.78 -49.5 52.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.317 176.002 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -53.26 -45.39 68.78 Favored 'General case' 0 CA--C 1.521 -0.157 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.435 178.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.432 ' O ' HG23 ' A' ' 16' ' ' VAL . 57.0 tp60 -58.57 -48.51 80.66 Favored 'General case' 0 N--CA 1.45 -0.471 0 CA-C-N 115.952 -0.567 . . . . 0.0 110.28 179.083 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 50.3 ttm -62.97 -39.21 94.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.542 -0.299 . . . . 0.0 110.95 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.912 HG12 ' HB3' ' A' ' 110' ' ' LEU . 63.6 mt -65.66 -48.5 82.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.955 0.407 . . . . 0.0 110.215 179.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.483 ' HG2' ' HD2' ' A' ' 19' ' ' LYS . 41.4 tt0 -66.74 -37.06 83.9 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.722 -177.571 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 12' ' ' GLN . 53.5 t -64.5 -34.48 69.81 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-O 120.87 0.367 . . . . 0.0 110.609 176.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -74.63 -46.47 38.12 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.538 -0.301 . . . . 0.0 111.046 179.224 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 73.0 mt-10 -67.02 -41.17 87.07 Favored 'General case' 0 N--CA 1.452 -0.354 0 CA-C-O 120.701 0.286 . . . . 0.0 111.092 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.483 ' HD2' ' HG2' ' A' ' 15' ' ' GLU . 56.1 mttm -74.65 -18.13 60.58 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.591 -0.277 . . . . 0.0 110.322 174.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.31 -47.95 55.05 Favored Glycine 0 N--CA 1.449 -0.486 0 C-N-CA 121.062 -0.59 . . . . 0.0 111.751 176.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.422 ' HA ' ' HE2' ' A' ' 99' ' ' PHE . . . -62.83 -40.0 96.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.288 0.566 . . . . 0.0 110.176 176.102 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -62.08 -46.24 89.98 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.139 -0.937 . . . . 0.0 110.82 176.071 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -69.82 -29.58 66.89 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.779 -178.302 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 76.9 t80 -65.99 -34.75 78.81 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.966 0.412 . . . . 0.0 110.362 175.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -63.8 -39.41 94.17 Favored 'General case' 0 C--N 1.328 -0.341 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 177.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -73.65 -34.13 64.82 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.604 174.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -73.62 16.66 2.35 Favored Glycine 0 C--N 1.331 0.283 0 CA-C-N 115.983 -0.553 . . . . 0.0 114.243 -172.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.49 ' HE2' ' HB3' ' A' ' 28' ' ' LYS . 5.0 tmmm? -71.27 -26.07 62.73 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 170.035 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 33.3 p30 -119.67 179.19 4.31 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.243 -0.89 . . . . 0.0 109.556 176.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 10.9 t -84.52 91.18 7.8 Favored 'General case' 0 C--N 1.32 -0.691 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 172.591 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -72.71 -38.44 67.5 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.828 -174.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 29.8 m170 -141.18 -162.74 1.42 Allowed 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.974 -0.751 . . . . 0.0 108.974 177.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.7 m -71.83 64.42 0.49 Allowed 'General case' 0 CA--C 1.533 0.305 0 CA-C-O 121.535 0.683 . . . . 0.0 110.343 173.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 3.0 m-30 -92.99 7.42 44.16 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.309 -0.86 . . . . 0.0 110.865 -177.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -78.39 57.19 1.88 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 121.321 0.581 . . . . 0.0 110.15 -178.797 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.62 ' HA ' ' CG1' ' A' ' 40' ' ' ILE . 80.8 m-85 61.96 -178.18 0.13 Allowed 'General case' 0 CA--C 1.532 0.277 0 CA-C-N 115.274 -0.876 . . . . 0.0 112.529 177.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 56.6 t80 65.28 -82.3 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.267 0 CA-C-N 115.168 -0.924 . . . . 0.0 112.576 174.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 49.7 mt-10 -62.87 -42.75 99.88 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.728 0.299 . . . . 0.0 111.403 -173.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 60.5 m -91.88 -31.29 15.74 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.126 0.489 . . . . 0.0 110.962 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.62 ' CG1' ' HA ' ' A' ' 36' ' ' PHE . 35.6 mm -96.0 57.2 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 121.629 0.728 . . . . 0.0 110.756 -175.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.592 ' HB2' ' HD3' ' A' ' 42' ' ' PRO . 9.7 mtpm? -148.56 -60.98 0.02 OUTLIER Pre-proline 0 CA--C 1.537 0.47 0 CA-C-N 115.148 -0.933 . . . . 0.0 110.969 172.039 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.592 ' HD3' ' HB2' ' A' ' 41' ' ' LYS . 12.8 Cg_exo -69.65 -46.45 1.27 Allowed 'Trans proline' 0 C--N 1.355 0.911 0 C-N-CA 121.905 1.737 . . . . 0.0 112.213 -175.6 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -58.82 -39.15 80.33 Favored 'General case' 0 C--N 1.333 -0.147 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.14 -179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 47.3 t -63.96 -45.65 96.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.723 -178.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.44 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 43.2 mt-10 -64.58 -47.86 77.12 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.768 -0.651 . . . . 0.0 111.391 -178.198 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 21.5 mm-40 -61.49 -49.46 76.66 Favored 'General case' 0 N--CA 1.449 -0.499 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.93 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 87.4 m-20 -63.03 -37.94 89.19 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.812 -177.252 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.595 ' HA ' HD21 ' A' ' 83' ' ' LEU . 24.3 t70 -62.33 -50.67 70.7 Favored 'General case' 0 C--O 1.235 0.318 0 CA-C-O 120.804 0.335 . . . . 0.0 110.111 176.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 10.3 mm-40 -53.66 -49.3 68.25 Favored 'General case' 0 N--CA 1.45 -0.426 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.679 173.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.5 tp -57.79 -49.57 76.18 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.621 -177.21 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.49 -44.45 95.92 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.454 -179.118 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -67.56 -40.82 84.93 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.882 0.373 . . . . 0.0 111.27 -178.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 18.9 mmt85 -74.09 -37.38 64.2 Favored 'General case' 0 N--CA 1.443 -0.793 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.271 -177.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 50.6 t90 -63.3 -45.53 90.97 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.076 0.465 . . . . 0.0 110.162 177.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.477 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -59.34 -48.88 79.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.697 -0.683 . . . . 0.0 110.816 178.054 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -57.45 -46.51 83.52 Favored 'General case' 0 N--CA 1.432 -1.329 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.93 -179.535 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -64.16 -41.08 98.52 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.345 179.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.447 ' HB1' HD13 ' A' ' 75' ' ' ILE . . . -65.14 -34.43 78.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.85 0.357 . . . . 0.0 110.862 178.388 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 55' ' ' ALA . 83.6 mt -63.69 -38.91 92.88 Favored 'General case' 0 N--CA 1.448 -0.559 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.851 177.471 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -61.42 -44.62 96.81 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.783 176.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -60.86 -50.54 73.01 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-N 115.868 -0.606 . . . . 0.0 112.075 -179.307 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.77 HG22 ' HG3' ' A' ' 67' ' ' PRO . 37.9 pt -69.85 -18.43 21.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 111.835 -176.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.5 tmtt? -83.13 -28.06 29.69 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 120.999 0.428 . . . . 0.0 110.564 178.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.522 HG12 ' HG3' ' A' ' 65' ' ' ARG . 71.1 t -92.4 -50.29 12.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 CA-C-N 116.411 -0.359 . . . . 0.0 111.092 179.837 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.522 ' HG3' HG12 ' A' ' 64' ' ' VAL . 52.3 mtp85 -124.58 -174.59 3.06 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.556 -174.608 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.464 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 79.9 mtt180 -109.53 137.06 20.23 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-O 120.688 0.28 . . . . 0.0 111.295 179.785 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.77 ' HG3' HG22 ' A' ' 62' ' ' ILE . 2.9 Cg_exo -75.59 168.32 24.65 Favored 'Trans proline' 0 N--CA 1.459 -0.525 0 C-N-CA 122.771 2.314 . . . . 0.0 111.236 174.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 57.1 tptt -112.18 -35.14 5.72 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 116.334 -0.393 . . . . 0.0 110.57 -178.169 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 78.0 m-85 -126.34 -60.75 1.25 Allowed 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.617 -0.265 . . . . 0.0 111.506 -177.231 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 p -54.98 144.71 5.76 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.434 0 CA-C-O 121.367 0.603 . . . . 0.0 112.198 -178.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -113.79 148.24 36.92 Favored 'General case' 0 C--N 1.33 -0.278 0 N-CA-C 108.593 -0.891 . . . . 0.0 108.593 176.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.673 ' HE2' HD12 ' A' ' 62' ' ' ILE . 16.4 ptpt -62.84 -39.0 93.01 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 113.081 0.771 . . . . 0.0 113.081 -170.103 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -67.62 -29.95 69.4 Favored 'General case' 0 C--N 1.326 -0.429 0 C-N-CA 120.866 -0.334 . . . . 0.0 111.227 179.395 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.531 ' O ' HG23 ' A' ' 78' ' ' VAL . 15.2 mm-40 -61.77 -36.12 80.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.206 177.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.447 HD13 ' HB1' ' A' ' 58' ' ' ALA . 68.4 mt -63.61 -41.44 92.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 CA-C-N 115.739 -0.664 . . . . 0.0 110.781 -179.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -68.99 -34.74 75.78 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.34 178.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -66.46 -43.86 84.34 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.635 178.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.531 HG23 ' O ' ' A' ' 74' ' ' GLN . 79.8 t -56.46 -43.53 78.1 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.268 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.067 179.069 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -55.81 -48.96 74.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.701 0.286 . . . . 0.0 111.404 -178.185 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -71.9 -42.02 67.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.981 0.419 . . . . 0.0 110.665 -178.203 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -68.99 -33.73 74.14 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.889 -177.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -65.85 -39.85 91.14 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.089 0.471 . . . . 0.0 110.234 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.595 HD21 ' HA ' ' A' ' 48' ' ' ASP . 91.3 mt -67.17 -36.23 81.36 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.464 177.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.462 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 22.5 tt0 -73.96 -32.58 63.53 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.348 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.5 tt -55.8 -51.27 68.04 Favored 'General case' 0 C--O 1.234 0.281 0 CA-C-N 116.076 -0.511 . . . . 0.0 109.903 175.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 51.0 t -60.61 -41.82 89.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.3 177.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.608 ' O ' HG22 ' A' ' 91' ' ' VAL . 49.6 tp -58.61 -59.32 5.58 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.492 -0.776 . . . . 0.0 111.099 -179.799 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.531 ' HB3' ' HB ' ' A' ' 94' ' ' ILE . 96.6 mt-30 -52.06 -43.11 63.65 Favored 'General case' 0 N--CA 1.467 0.387 0 O-C-N 123.486 0.491 . . . . 0.0 111.333 -176.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 20.7 m -58.82 -55.73 31.37 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 115.718 -0.673 . . . . 0.0 111.625 -176.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 68.7 m-85 -80.3 -33.94 37.23 Favored 'General case' 0 C--N 1.325 -0.488 0 N-CA-C 112.792 0.664 . . . . 0.0 112.792 -170.264 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.608 HG22 ' O ' ' A' ' 87' ' ' LEU . 14.7 m -88.27 -6.83 10.83 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.227 0 C-N-CA 120.267 -0.573 . . . . 0.0 110.882 -179.239 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 39.4 m80 58.7 30.69 20.29 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-N 115.687 -0.688 . . . . 0.0 111.589 176.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 78.9 t60 -83.16 -7.2 59.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 121.337 0.589 . . . . 0.0 110.293 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.858 HD11 ' HB2' ' A' ' 98' ' ' ARG . 10.5 tp -96.93 144.76 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.381 175.421 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 4.4 t-80 -82.64 -71.98 0.47 Allowed 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.535 -0.466 . . . . 0.0 110.526 -177.643 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.596 ' HA ' ' HE3' ' A' ' 96' ' ' LYS . 0.0 OUTLIER -150.67 -75.73 0.15 Allowed 'General case' 0 N--CA 1.466 0.358 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -177.309 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -58.13 -55.83 29.94 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 113.46 0.911 . . . . 0.0 113.46 -169.641 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.858 ' HB2' HD11 ' A' ' 94' ' ' ILE . 69.1 mtt180 -53.19 -39.76 63.89 Favored 'General case' 0 C--N 1.332 -0.194 0 N-CA-C 112.913 0.709 . . . . 0.0 112.913 -168.121 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.702 ' HB2' HG12 ' A' ' 94' ' ' ILE . 71.0 t80 -58.87 -53.71 55.27 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 120.796 0.331 . . . . 0.0 111.354 -177.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -67.18 -35.15 79.04 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.375 -175.135 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -67.55 -46.92 71.32 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.712 0.292 . . . . 0.0 110.663 177.083 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.418 ' O ' HG23 ' A' ' 106' ' ' VAL . 79.7 mt -57.28 -46.84 85.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.129 175.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.439 ' O ' ' HG ' ' A' ' 107' ' ' LEU . 38.3 m -55.84 -49.6 72.84 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.546 176.7 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 17.1 mm-40 -62.42 -37.87 87.48 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.081 -0.509 . . . . 0.0 112.032 179.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 27.2 t -63.83 -38.89 92.78 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.947 0.403 . . . . 0.0 110.17 178.116 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 102' ' ' ILE . 94.6 t -71.9 -44.31 67.42 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.399 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.128 176.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.439 ' HG ' ' O ' ' A' ' 103' ' ' THR . 90.9 mt -59.21 -39.15 81.76 Favored 'General case' 0 C--O 1.233 0.231 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.481 179.78 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 79.1 t80 -55.22 -46.06 75.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.119 175.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.514 ' O ' HG23 ' A' ' 113' ' ' VAL . 24.3 m -69.55 -43.49 72.84 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.79 -0.641 . . . . 0.0 110.83 179.424 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.912 ' HB3' HG12 ' A' ' 14' ' ' ILE . 90.6 mt -60.88 -43.15 98.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.694 -178.307 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 35.3 m-70 -70.75 -28.14 64.47 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 121.028 -0.269 . . . . 0.0 111.023 179.139 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.44 -49.45 66.69 Favored 'General case' 0 C--N 1.328 -0.369 0 N-CA-C 110.029 -0.36 . . . . 0.0 110.029 174.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 109' ' ' THR . 52.9 t -62.24 -43.55 98.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.177 -179.543 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 79.1 tttt -57.3 -43.97 83.7 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.076 178.002 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -60.29 -48.6 81.03 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.696 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -62.13 -42.37 99.17 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 115.236 -0.893 . . . . 0.0 111.398 178.599 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.478 HG13 ' O ' ' A' ' 113' ' ' VAL . 78.6 mt -61.87 -48.28 89.35 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.372 0 CA-C-O 120.806 0.336 . . . . 0.0 110.752 177.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.734 ' HA ' ' HB2' ' A' ' 122' ' ' SER . . . -63.97 -31.38 72.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.225 0.536 . . . . 0.0 110.371 178.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.415 HH11 ' HD2' ' A' ' 119' ' ' ARG . 0.0 OUTLIER -67.95 -50.07 58.07 Favored 'General case' 0 N--CA 1.448 -0.527 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.383 175.622 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.448 ' OE1' ' HA ' ' A' ' 120' ' ' GLU . 4.9 mm-40 -59.54 -60.33 4.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.13 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -165.45 103.22 0.72 Allowed 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.978 0.418 . . . . 0.0 111.476 179.2 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.734 ' HB2' ' HA ' ' A' ' 118' ' ' ALA . 74.4 m -159.51 142.22 13.93 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-N 115.614 -0.721 . . . . 0.0 109.201 173.022 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.443 ' HA ' ' NE ' ' A' ' 123' ' ' ARG . 4.3 mmp_? . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.955 0.407 . . . . 0.0 111.348 -178.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.0 mtm . . . . . 0 N--CA 1.479 1.007 0 CA-C-O 120.782 0.325 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 5.5 tt -142.35 106.81 4.8 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.335 -0.617 . . . . 0.0 109.335 178.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.2 t -89.04 93.89 9.76 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.058 0.456 . . . . 0.0 110.089 179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.42 ' O ' ' HB2' ' A' ' 8' ' ' GLU . 1.1 tm0? -82.47 118.73 23.44 Favored 'General case' 0 C--N 1.327 -0.413 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 178.737 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 10.8 m -67.46 -46.71 72.23 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.73 0.641 . . . . 0.0 112.73 -168.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 64.6 tp -59.88 -46.27 89.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.243 0.544 . . . . 0.0 111.028 -176.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 63.6 tp -68.99 -40.96 78.43 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.257 179.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.42 ' HB2' ' O ' ' A' ' 4' ' ' GLN . 2.0 tm-20 -55.38 -44.76 76.4 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.189 179.633 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 71.6 mtm -63.11 -40.49 97.77 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 120.713 0.292 . . . . 0.0 110.603 179.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.444 ' O ' HG13 ' A' ' 14' ' ' ILE . 20.2 m -65.06 -48.84 72.35 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.993 0.425 . . . . 0.0 110.08 177.456 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -55.6 -44.98 77.51 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.395 -0.82 . . . . 0.0 110.734 177.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.453 ' O ' HG23 ' A' ' 16' ' ' VAL . 63.3 tt0 -64.78 -42.83 94.78 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.758 -0.656 . . . . 0.0 111.099 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 56.3 mtt -60.1 -40.56 90.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.736 -0.211 . . . . 0.0 111.044 178.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.444 HG13 ' O ' ' A' ' 10' ' ' THR . 69.0 mt -60.0 -46.35 94.26 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.221 0 CA-C-O 121.022 0.439 . . . . 0.0 110.207 176.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 45.8 tt0 -65.26 -41.36 94.35 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.791 -0.64 . . . . 0.0 111.099 179.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 12' ' ' GLN . 55.0 t -58.98 -43.18 88.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.793 0.33 . . . . 0.0 110.506 178.287 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.96 -48.53 79.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.785 178.199 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -62.06 -42.71 99.47 Favored 'General case' 0 N--CA 1.451 -0.375 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.823 178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.5 mmtm -64.43 -45.72 86.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.703 0.287 . . . . 0.0 110.661 177.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -62.92 -37.46 94.96 Favored Glycine 0 N--CA 1.451 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.496 -179.329 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.56 ' HA ' ' CZ ' ' A' ' 99' ' ' PHE . . . -60.87 -47.32 86.94 Favored 'General case' 0 C--O 1.237 0.421 0 CA-C-O 121.078 0.466 . . . . 0.0 111.046 178.793 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -70.7 -40.9 72.59 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.317 -179.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 44.2 ttt180 -60.32 -43.06 96.71 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.975 178.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.433 ' HE1' ' CD2' ' A' ' 92' ' ' HIS . 88.2 t80 -63.11 -34.64 78.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.495 179.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -69.48 -27.13 64.95 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -179.615 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -81.36 -19.08 43.47 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.809 175.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -78.69 61.28 4.01 Favored Glycine 0 C--O 1.23 -0.149 0 N-CA-C 111.413 -0.675 . . . . 0.0 111.413 176.145 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 30.7 mttm -79.27 -17.75 54.09 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 121.001 0.429 . . . . 0.0 111.157 -173.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 80.4 m-20 -95.32 123.41 38.82 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.518 -178.589 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 7.9 t -142.48 18.06 2.04 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.051 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -78.44 -36.09 45.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.204 178.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.0 m80 -106.45 142.73 35.64 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.756 178.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.1 m -88.73 141.5 28.46 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 121.057 0.456 . . . . 0.0 111.472 -176.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 28.2 t80 -102.89 160.17 14.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 115.703 -0.68 . . . . 0.0 109.516 179.483 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.9 m-20 -82.65 144.77 30.05 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-O 120.592 0.234 . . . . 0.0 110.924 178.618 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.592 ' HA ' HD12 ' A' ' 40' ' ' ILE . 95.8 m-85 -76.8 83.23 3.39 Favored 'General case' 0 C--N 1.326 -0.453 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 173.343 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -161.95 176.6 10.62 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.638 -0.71 . . . . 0.0 109.384 -174.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 66.57 -88.26 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 C-N-CA 123.367 0.667 . . . . 0.0 112.296 174.539 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.6 7.14 47.01 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-O 121.229 0.538 . . . . 0.0 111.458 -173.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.592 HD12 ' HA ' ' A' ' 36' ' ' PHE . 71.8 mt -108.26 -48.75 7.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-N 115.906 -0.588 . . . . 0.0 111.426 -178.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.539 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 64.1 tttp -60.92 -62.38 6.1 Favored Pre-proline 0 CA--C 1.544 0.712 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 -172.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.539 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 58.7 Cg_endo -71.41 -17.8 30.23 Favored 'Trans proline' 0 C--N 1.357 0.993 0 C-N-CA 121.798 1.666 . . . . 0.0 112.816 -174.261 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -69.51 -34.81 74.82 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 40' ' ' ILE . 73.7 t -62.56 -53.3 48.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.59 179.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -56.21 -43.63 78.73 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.637 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -60.81 -58.99 6.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.494 0.664 . . . . 0.0 110.98 -179.019 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 49.9 m-80 -67.73 -25.55 65.7 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.789 -175.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -65.85 -48.6 71.04 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 173.311 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.9 mm-40 -57.15 -48.16 79.4 Favored 'General case' 0 C--O 1.233 0.223 0 CA-C-N 115.943 -0.572 . . . . 0.0 110.516 174.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.08 -49.41 78.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.332 -0.849 . . . . 0.0 111.079 179.11 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -60.36 -41.88 94.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.713 0.292 . . . . 0.0 111.455 -177.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.445 ' O ' ' HG3' ' A' ' 56' ' ' GLU . . . -62.22 -51.45 67.73 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.561 178.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.558 HH21 ' CD ' ' A' ' 56' ' ' GLU . 2.2 mmp_? -63.18 -38.78 92.5 Favored 'General case' 0 N--CA 1.451 -0.403 0 CA-C-N 115.984 -0.553 . . . . 0.0 111.562 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 46.5 t90 -66.2 -44.43 83.93 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.248 -179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.09 -43.46 95.5 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.359 177.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.558 ' CD ' HH21 ' A' ' 53' ' ' ARG . 49.0 mt-10 -60.54 -43.07 97.58 Favored 'General case' 0 N--CA 1.446 -0.643 0 CA-C-N 115.844 -0.616 . . . . 0.0 111.175 178.601 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -70.91 -44.39 55.8 Favored Glycine 0 N--CA 1.449 -0.484 0 C-N-CA 120.966 -0.635 . . . . 0.0 112.608 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.426 ' O ' HG12 ' A' ' 62' ' ' ILE . . . -61.22 -47.04 87.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.795 0.331 . . . . 0.0 110.464 179.041 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.821 HD23 HD11 ' A' ' 62' ' ' ILE . 28.4 mt -61.27 -34.45 75.21 Favored 'General case' 0 N--CA 1.45 -0.445 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.387 179.36 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 25.3 tp10 -59.43 -53.64 55.83 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.008 0.432 . . . . 0.0 110.589 176.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.2 mp -68.28 -37.32 80.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.18 -175.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.821 HD11 HD23 ' A' ' 59' ' ' LEU . 34.9 pt -81.63 -13.25 12.52 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.607 -176.617 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 6.5 tmtm? -81.83 -39.18 24.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.988 0.423 . . . . 0.0 110.013 174.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 59.4 t -75.62 -40.5 40.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.446 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 36.7 mtp-105 -102.58 -163.09 0.97 Allowed 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.583 -178.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.414 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 0.6 OUTLIER -121.2 125.99 26.74 Favored Pre-proline 0 C--N 1.322 -0.625 0 CA-C-N 115.855 -0.611 . . . . 0.0 109.514 170.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.731 ' HG3' ' HB ' ' A' ' 62' ' ' ILE . 36.1 Cg_exo -59.44 111.86 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.872 2.381 . . . . 0.0 111.744 179.511 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.499 ' HB2' ' NZ ' ' A' ' 68' ' ' LYS . 4.7 ttmp? -70.54 -72.37 0.21 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.171 -175.317 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.505 ' HB2' ' HB1' ' A' ' 112' ' ' ALA . 9.4 m-85 -86.42 -61.08 1.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 121.277 0.56 . . . . 0.0 110.56 -178.195 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.422 ' CG2' HG23 ' A' ' 109' ' ' THR . 8.0 p -65.83 143.41 15.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 115.129 -0.941 . . . . 0.0 111.679 -173.815 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -95.34 145.42 25.12 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.392 -0.966 . . . . 0.0 108.392 175.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.403 ' HD2' ' C ' ' A' ' 72' ' ' LYS . 0.5 OUTLIER -60.61 -39.28 87.58 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.255 0.55 . . . . 0.0 109.92 -177.629 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 19.4 mp0 -62.13 -29.38 70.3 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.317 -0.856 . . . . 0.0 111.042 179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.528 ' O ' HG23 ' A' ' 78' ' ' VAL . 52.1 mt-30 -68.11 -43.89 77.42 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.634 178.547 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 71.3 mt -58.35 -40.55 78.5 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.218 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.83 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -62.02 -37.39 84.72 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.071 178.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -75.21 -35.29 61.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.998 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.528 HG23 ' O ' ' A' ' 74' ' ' GLN . 75.5 t -58.87 -36.32 60.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.091 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -53.19 -51.6 61.54 Favored 'General case' 0 C--O 1.234 0.261 0 CA-C-O 120.98 0.419 . . . . 0.0 110.876 178.469 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -74.92 -43.88 51.75 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.65 -177.03 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -61.27 -31.37 71.19 Favored 'General case' 0 N--CA 1.466 0.336 0 O-C-N 123.222 0.326 . . . . 0.0 111.668 -179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -66.43 -49.8 65.53 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-O 121.204 0.526 . . . . 0.0 110.229 178.169 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 97.0 mt -66.7 -34.81 78.67 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.28 177.396 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.591 ' O ' ' HG3' ' A' ' 88' ' ' GLN . 9.9 tp10 -60.71 -45.94 92.3 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.028 175.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.3 tt -52.51 -45.35 66.2 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.916 0.388 . . . . 0.0 110.013 179.687 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 47.4 t -65.87 -44.99 92.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.806 176.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.425 ' O ' HG22 ' A' ' 91' ' ' VAL . 59.2 tp -64.28 -53.67 45.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.079 -0.51 . . . . 0.0 112.188 -176.162 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.591 ' HG3' ' O ' ' A' ' 84' ' ' GLU . 1.2 pp0? -69.58 -9.48 54.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.707 0.289 . . . . 0.0 111.489 -177.488 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 10.9 t -72.73 -21.96 60.95 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.535 0.684 . . . . 0.0 109.215 175.087 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 50.9 m-85 -104.52 -53.94 2.61 Favored 'General case' 0 N--CA 1.452 -0.329 0 CA-C-N 115.633 -0.712 . . . . 0.0 111.056 178.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.425 HG22 ' O ' ' A' ' 87' ' ' LEU . 27.1 m -74.28 -21.16 17.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.428 0 N-CA-C 112.038 0.384 . . . . 0.0 112.038 -176.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.433 ' CD2' ' HE1' ' A' ' 24' ' ' TYR . 49.1 m170 60.8 32.44 20.14 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 112.899 0.703 . . . . 0.0 112.899 172.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -83.25 58.41 4.46 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.633 0.73 . . . . 0.0 111.255 -179.323 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.821 HG22 ' HD3' ' A' ' 98' ' ' ARG . 39.0 pt -140.68 -178.67 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.555 0 CA-C-N 115.848 -0.615 . . . . 0.0 110.048 -178.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -131.97 69.7 1.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.658 0.266 . . . . 0.0 110.88 175.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 22.1 tptm 61.45 -76.53 0.03 OUTLIER 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.988 0.915 . . . . 0.0 112.815 176.491 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 41.3 tptt -61.77 -29.08 69.9 Favored 'General case' 0 C--N 1.329 -0.3 0 C-N-CA 122.685 0.394 . . . . 0.0 111.234 -172.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.821 ' HD3' HG22 ' A' ' 94' ' ' ILE . 64.9 ttt180 -60.31 -30.89 69.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.69 -0.686 . . . . 0.0 111.279 -177.131 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.56 ' CZ ' ' HA ' ' A' ' 21' ' ' ALA . 77.8 t80 -64.09 -48.42 76.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.943 0.402 . . . . 0.0 110.505 -179.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 5.3 mptp? -66.73 -34.63 78.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.896 -0.593 . . . . 0.0 110.513 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -59.45 -50.83 72.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.399 177.265 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 77.0 mt -61.94 -45.87 97.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.76 178.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 24.0 m -57.99 -50.44 73.38 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.562 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -62.07 -45.51 93.22 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.893 -0.594 . . . . 0.0 110.902 -178.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 47.5 m -56.05 -41.62 75.33 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-O 120.781 0.324 . . . . 0.0 111.264 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.421 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 89.5 t -70.2 -51.39 39.27 Favored 'Isoleucine or valine' 0 C--O 1.234 0.243 0 CA-C-N 116.453 -0.34 . . . . 0.0 110.986 178.767 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.512 HD23 HD12 ' A' ' 110' ' ' LEU . 52.5 mt -62.39 -37.5 86.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.468 -0.333 . . . . 0.0 111.775 -177.292 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 75.2 t80 -55.79 -47.49 76.99 Favored 'General case' 0 C--O 1.237 0.399 0 CA-C-O 121.199 0.524 . . . . 0.0 110.521 178.625 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.514 HG21 HG21 ' A' ' 78' ' ' VAL . 91.5 m -67.56 -42.61 82.34 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.575 -0.739 . . . . 0.0 111.07 179.031 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.512 HD12 HD23 ' A' ' 107' ' ' LEU . 96.0 mt -58.77 -39.94 82.48 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.076 -179.821 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -64.97 -37.71 88.56 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-O 120.991 0.424 . . . . 0.0 110.599 179.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.505 ' HB1' ' HB2' ' A' ' 69' ' ' TYR . . . -68.03 -38.39 82.46 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.278 -177.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 61.3 t -74.92 -41.58 46.28 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.213 0.53 . . . . 0.0 110.335 178.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -56.21 -42.6 77.47 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.29 -0.868 . . . . 0.0 110.883 -179.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 38.3 t70 -66.94 -41.4 87.06 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.205 -178.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -62.85 -41.04 99.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.435 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 68.8 mt -61.23 -44.15 97.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.946 179.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -69.64 -30.91 68.73 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 178.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 25.6 ttm105 -66.81 -49.25 66.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.053 -0.522 . . . . 0.0 111.254 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 69.8 mm-40 -74.44 -22.08 59.29 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 111.995 0.369 . . . . 0.0 111.995 -175.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 18.5 t70 67.39 104.52 0.05 OUTLIER 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 121.476 0.655 . . . . 0.0 110.754 179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 35.1 m -82.77 101.59 11.02 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.006 -0.543 . . . . 0.0 111.278 -177.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 . . . . . 0 C--N 1.324 -0.511 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.448 177.678 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.2 mmt . . . . . 0 N--CA 1.478 0.961 0 CA-C-O 121.195 0.522 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 7.3 mp -118.22 -171.27 2.04 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.419 -0.809 . . . . 0.0 109.329 173.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.577 ' HA ' ' HB2' ' A' ' 123' ' ' ARG . 3.0 p -93.87 21.47 6.57 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 121.13 0.49 . . . . 0.0 110.886 177.761 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 25.7 tt0 -70.5 93.23 0.88 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.469 -0.787 . . . . 0.0 110.249 -178.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 6.2 m 176.57 -34.71 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.4 0 C-N-CA 125.127 1.371 . . . . 0.0 108.368 -173.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 26.1 tp -130.6 -20.7 2.88 Favored 'General case' 0 CA--C 1.532 0.268 0 CA-C-N 115.191 -0.913 . . . . 0.0 110.922 -175.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.479 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 49.8 tp -77.3 -47.5 19.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.43 -173.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.539 ' H ' ' CD ' ' A' ' 8' ' ' GLU . 1.0 OUTLIER -56.52 -42.8 79.01 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 120.979 0.419 . . . . 0.0 110.757 -176.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.563 ' SD ' ' HD2' ' A' ' 53' ' ' ARG . 49.5 ttp -57.99 -41.79 83.75 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.721 177.461 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.49 ' O ' HG13 ' A' ' 14' ' ' ILE . 24.8 m -67.1 -45.19 77.98 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.95 176.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 30.7 mm-40 -57.12 -44.13 83.01 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.209 179.546 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.482 ' O ' HG23 ' A' ' 16' ' ' VAL . 53.0 tt0 -61.45 -42.06 98.18 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.569 179.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.545 ' SD ' HD21 ' A' ' 110' ' ' LEU . 49.0 ttm -66.54 -38.54 87.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.55 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.49 HG13 ' O ' ' A' ' 10' ' ' THR . 77.8 mt -63.02 -49.8 82.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.445 178.594 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -58.75 -43.33 90.27 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.806 -0.634 . . . . 0.0 111.485 -177.22 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 12' ' ' GLN . 94.3 t -61.73 -44.64 99.06 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.23 0 CA-C-N 116.66 -0.245 . . . . 0.0 111.036 -179.827 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.88 -47.95 73.17 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 120.728 0.299 . . . . 0.0 110.864 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -60.3 -44.3 95.52 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.601 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -74.77 -37.52 62.41 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.453 -178.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.06 -41.41 95.15 Favored Glycine 0 N--CA 1.448 -0.521 0 C-N-CA 120.382 -0.914 . . . . 0.0 112.372 179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.537 ' HA ' ' CE2' ' A' ' 99' ' ' PHE . . . -64.53 -45.18 88.29 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.969 0.414 . . . . 0.0 110.939 178.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -69.34 -40.57 77.46 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.934 -179.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -65.54 -35.96 82.39 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.918 0.389 . . . . 0.0 110.651 -178.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.519 ' HE1' ' HD2' ' A' ' 92' ' ' HIS . 45.4 t80 -71.1 -34.5 71.18 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.172 0.511 . . . . 0.0 109.924 178.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -66.76 -52.51 43.37 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.836 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.8 mm-40 -69.63 -44.5 70.52 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.77 -179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 96.13 -91.4 1.29 Allowed Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.96 -0.638 . . . . 0.0 112.512 178.058 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 26.8 tptp 60.83 89.53 0.07 Allowed 'General case' 0 C--O 1.235 0.322 0 CA-C-O 121.432 0.634 . . . . 0.0 110.064 -174.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.4 m120 -61.1 123.66 18.3 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.437 -0.801 . . . . 0.0 110.98 -177.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 12.4 m -93.63 99.44 11.88 Favored 'General case' 0 C--N 1.319 -0.732 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 176.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 15.8 m120 -49.95 -62.43 1.58 Allowed 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.399 -0.818 . . . . 0.0 112.506 -170.687 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 11.3 p-80 -137.84 42.28 2.29 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.303 0.573 . . . . 0.0 110.463 -179.032 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 34' ' ' TYR . 11.6 m -140.33 157.37 45.66 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.45 -0.795 . . . . 0.0 109.711 179.453 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.441 ' HD1' ' HG1' ' A' ' 39' ' ' THR . 96.6 m-85 77.85 -12.99 1.0 Allowed 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.399 0.68 . . . . 0.0 112.49 172.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -78.0 92.04 4.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.922 0.392 . . . . 0.0 110.911 -176.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.576 ' HA ' HD12 ' A' ' 40' ' ' ILE . 76.2 m-85 69.55 155.75 0.13 Allowed 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 114.976 -1.011 . . . . 0.0 112.798 176.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 43.6 t80 71.08 -57.22 0.61 Allowed 'General case' 0 N--CA 1.468 0.429 0 CA-C-N 114.837 -1.074 . . . . 0.0 112.622 174.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -64.73 -72.14 0.16 Allowed 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 112.1 0.408 . . . . 0.0 112.1 -173.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.441 ' HG1' ' HD1' ' A' ' 34' ' ' TYR . 4.9 m -93.99 -23.63 17.96 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-O 120.883 0.373 . . . . 0.0 111.972 -173.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.576 HD12 ' HA ' ' A' ' 36' ' ' PHE . 10.3 mt -83.53 15.6 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 CA-C-O 121.356 0.598 . . . . 0.0 111.135 -173.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.606 ' O ' ' HG2' ' A' ' 45' ' ' GLU . 63.0 tttp -118.45 -67.23 0.02 OUTLIER Pre-proline 0 CA--C 1.538 0.515 0 CA-C-O 119.035 -0.507 . . . . 0.0 111.414 174.522 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.506 ' HD2' ' H ' ' A' ' 41' ' ' LYS . 16.3 Cg_endo -57.19 -31.91 91.96 Favored 'Trans proline' 0 C--N 1.364 1.375 0 C-N-CA 122.282 1.988 . . . . 0.0 112.829 -175.046 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -68.55 -46.84 68.41 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.424 -0.353 . . . . 0.0 110.243 177.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 63.4 t -63.15 -40.27 88.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.697 -179.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.606 ' HG2' ' O ' ' A' ' 41' ' ' LYS . 5.3 mm-40 -56.72 -49.02 76.42 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 121.237 0.541 . . . . 0.0 109.968 177.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 55.1 mm-40 -60.84 -49.41 77.61 Favored 'General case' 0 N--CA 1.443 -0.805 0 CA-C-N 115.282 -0.872 . . . . 0.0 111.039 176.366 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -58.82 -44.39 90.83 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 -176.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.6 t70 -59.66 -55.04 39.42 Favored 'General case' 0 C--O 1.235 0.308 0 O-C-N 123.209 0.318 . . . . 0.0 110.764 179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -61.93 -39.83 93.41 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.955 -0.566 . . . . 0.0 111.046 179.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.468 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 12.8 tp -64.39 -53.74 43.72 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.498 -176.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.72 -37.5 86.78 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.045 -177.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.777 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . . . -64.87 -56.85 10.89 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.562 179.202 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.563 ' HD2' ' SD ' ' A' ' 9' ' ' MET . 1.8 tmt_? -65.87 -33.25 75.41 Favored 'General case' 0 N--CA 1.447 -0.593 0 CA-C-N 115.972 -0.558 . . . . 0.0 111.077 -177.473 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.529 ' HA ' ' CE ' ' A' ' 9' ' ' MET . 59.0 t90 -66.43 -49.24 67.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.661 -0.245 . . . . 0.0 110.626 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.41 ' O ' ' HG ' ' A' ' 59' ' ' LEU . . . -58.75 -45.2 90.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.323 -0.398 . . . . 0.0 110.247 178.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -60.35 -41.74 94.28 Favored 'General case' 0 N--CA 1.446 -0.642 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.418 178.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.72 -43.36 67.7 Favored Glycine 0 N--CA 1.45 -0.41 0 C-N-CA 120.959 -0.638 . . . . 0.0 112.736 179.531 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -64.12 -43.06 96.46 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.903 0.382 . . . . 0.0 110.779 179.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.47 HD23 HD11 ' A' ' 62' ' ' ILE . 52.0 mt -61.61 -37.56 84.36 Favored 'General case' 0 N--CA 1.449 -0.5 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.849 178.022 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.416 ' O ' HG23 ' A' ' 64' ' ' VAL . 17.4 tp10 -54.98 -51.9 64.77 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.877 -0.601 . . . . 0.0 111.074 177.164 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.435 HD13 ' HA ' ' A' ' 61' ' ' LEU . 4.1 mm? -63.74 -46.49 85.13 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 111.724 0.268 . . . . 0.0 111.724 -176.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.47 HD11 HD23 ' A' ' 59' ' ' LEU . 35.6 pt -72.53 -17.58 18.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.906 0.384 . . . . 0.0 111.154 -177.677 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 56.8 tttm -78.19 -42.84 30.27 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.338 177.088 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 60' ' ' GLU . 93.4 t -74.0 -48.48 38.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.669 -177.684 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 63.0 mtt180 -99.6 -78.83 0.5 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.781 0.324 . . . . 0.0 111.04 -178.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.757 ' HG2' ' HD2' ' A' ' 67' ' ' PRO . 3.2 ttm180 -174.3 157.25 2.48 Favored Pre-proline 0 C--N 1.327 -0.401 0 N-CA-C 107.785 -1.191 . . . . 0.0 107.785 -178.151 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.757 ' HD2' ' HG2' ' A' ' 66' ' ' ARG . 15.2 Cg_exo -70.94 106.54 1.9 Allowed 'Trans proline' 0 CA--C 1.53 0.286 0 C-N-CA 121.746 1.631 . . . . 0.0 112.082 172.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.39 124.27 35.45 Favored 'General case' 0 C--N 1.33 -0.272 0 N-CA-C 109.95 -0.389 . . . . 0.0 109.95 176.463 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 66.32 -70.81 0.1 Allowed 'General case' 0 N--CA 1.467 0.404 0 O-C-N 123.769 0.668 . . . . 0.0 111.661 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.403 HG21 HG23 ' A' ' 109' ' ' THR . 11.1 p -76.57 147.5 7.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-O 121.605 0.717 . . . . 0.0 111.661 -173.402 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 32.3 t60 -97.54 145.97 25.72 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 107.773 -1.195 . . . . 0.0 107.773 173.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.427 ' HB2' ' NZ ' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -58.5 -34.4 70.89 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-N 118.296 0.498 . . . . 0.0 111.773 -173.334 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -66.95 -29.16 68.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.738 0.304 . . . . 0.0 110.962 178.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.402 ' OE1' HG23 ' A' ' 70' ' ' VAL . 29.4 tt0 -67.37 -39.04 85.64 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 178.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 65.6 mt -63.02 -43.02 98.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 115.638 -0.71 . . . . 0.0 110.027 176.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 72' ' ' LYS . 57.5 mm-40 -58.19 -43.06 87.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.553 -0.749 . . . . 0.0 110.59 177.281 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.17 -50.83 59.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.585 -0.734 . . . . 0.0 111.184 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.478 HG13 HG13 ' A' ' 106' ' ' VAL . 65.8 t -58.19 -38.35 67.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.415 -0.357 . . . . 0.0 111.339 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.777 ' HE3' ' HA ' ' A' ' 52' ' ' ALA . 87.4 tttt -57.21 -43.44 82.77 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.808 178.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -77.22 -45.1 27.63 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.615 179.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -56.69 -38.95 72.97 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.799 -0.637 . . . . 0.0 111.316 -178.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 46.4 t80 -60.81 -45.93 92.5 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.864 -179.227 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 93.6 mt -67.29 -42.76 83.25 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.774 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -61.7 -43.19 99.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.526 177.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.9 tt -55.13 -53.35 57.05 Favored 'General case' 0 C--O 1.235 0.31 0 CA-C-N 115.705 -0.68 . . . . 0.0 110.461 -179.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.1 t -61.66 -47.97 90.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -178.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 51.8 tp -61.35 -48.17 82.51 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.494 -177.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.499 ' HA ' HG22 ' A' ' 91' ' ' VAL . 28.2 mm-40 -73.08 -19.5 61.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.586 -175.088 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 21.8 t -69.16 -50.55 46.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.817 0.342 . . . . 0.0 110.283 179.304 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 68.4 m-85 -65.42 -39.02 91.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.463 -178.53 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.499 HG22 ' HA ' ' A' ' 88' ' ' GLN . 23.5 m -83.14 -8.36 11.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.9 -0.32 . . . . 0.0 111.34 -178.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.519 ' HD2' ' HE1' ' A' ' 24' ' ' TYR . 39.2 m80 62.73 33.0 15.81 Favored 'General case' 0 N--CA 1.463 0.188 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.366 175.311 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 39.6 t60 -90.57 -14.89 31.63 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.022 0.439 . . . . 0.0 110.645 -177.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 9.6 tp -94.3 145.04 8.49 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.507 -177.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -96.78 150.36 20.8 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.73 -0.47 . . . . 0.0 109.73 176.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.543 ' HA ' ' HB3' ' A' ' 99' ' ' PHE . 20.8 pttp -64.49 -22.42 66.96 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 -171.2 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -59.8 -57.48 12.71 Favored 'General case' 0 N--CA 1.466 0.353 0 CA-C-O 121.373 0.606 . . . . 0.0 110.44 174.1 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 76.9 ttt180 -79.53 -26.48 41.46 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 115.555 -0.748 . . . . 0.0 110.528 -176.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.543 ' HB3' ' HA ' ' A' ' 96' ' ' LYS . 65.1 t80 -58.05 -48.59 79.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.664 178.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 27.4 mmtp -69.1 -37.18 78.27 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.555 -0.293 . . . . 0.0 110.283 178.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -57.9 -50.86 71.89 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-N 115.911 -0.586 . . . . 0.0 110.66 179.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.422 ' O ' HG23 ' A' ' 106' ' ' VAL . 83.1 mt -62.02 -49.82 82.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.717 178.539 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.409 HG21 ' HB2' ' A' ' 21' ' ' ALA . 31.1 m -56.35 -47.41 78.88 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.939 -179.315 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -62.21 -46.89 86.89 Favored 'General case' 0 N--CA 1.45 -0.454 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.7 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 50.2 m -56.33 -41.84 76.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.926 177.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.478 HG13 HG13 ' A' ' 78' ' ' VAL . 75.7 t -65.78 -50.89 67.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.637 177.492 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.465 HD23 HD12 ' A' ' 110' ' ' LEU . 97.3 mt -59.54 -40.48 87.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.237 -178.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 78.8 t80 -54.46 -51.45 64.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.809 0.338 . . . . 0.0 110.865 177.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.403 HG23 HG21 ' A' ' 70' ' ' VAL . 88.9 m -62.34 -39.72 94.02 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.74 178.802 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.545 HD21 ' SD ' ' A' ' 13' ' ' MET . 96.0 mt -60.96 -41.38 96.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.785 177.397 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 58.4 m170 -69.0 -33.29 73.42 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.407 179.721 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.69 -47.62 74.8 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 115.991 -0.55 . . . . 0.0 110.99 179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.534 ' O ' HG13 ' A' ' 117' ' ' ILE . 66.8 t -70.44 -44.25 77.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.376 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.175 -179.267 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 64.4 tttp -57.27 -37.67 72.72 Favored 'General case' 0 C--O 1.235 0.329 0 CA-C-O 121.181 0.515 . . . . 0.0 110.681 177.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.638 ' O ' ' HB2' ' A' ' 119' ' ' ARG . 14.6 t70 -60.89 -52.27 65.75 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.431 -0.804 . . . . 0.0 110.774 -178.108 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.468 ' HA ' ' HB2' ' A' ' 119' ' ' ARG . 6.3 pt-20 -66.92 -32.46 73.73 Favored 'General case' 0 C--O 1.236 0.359 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -178.456 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.534 HG13 ' O ' ' A' ' 113' ' ' VAL . 74.1 mt -57.03 -39.8 68.56 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.172 0 CA-C-O 120.853 0.359 . . . . 0.0 110.571 177.667 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -94.06 -17.4 22.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.968 0.413 . . . . 0.0 111.148 177.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.638 ' HB2' ' O ' ' A' ' 115' ' ' ASP . 1.4 tpt180 -73.37 -55.13 6.79 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.449 -177.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -87.36 -41.72 13.4 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 110.096 -0.335 . . . . 0.0 110.096 176.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 34.8 t70 57.95 88.06 0.06 Allowed 'General case' 0 C--O 1.232 0.179 0 CA-C-N 115.046 -0.979 . . . . 0.0 112.413 175.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 23.3 t -160.99 87.98 0.74 Allowed 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.125 175.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.577 ' HB2' ' HA ' ' A' ' 3' ' ' SER . 5.1 mmp_? . . . . . 0 C--N 1.327 -0.41 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.72 177.145 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.5 tmm? . . . . . 0 N--CA 1.477 0.917 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . 0.509 ' O ' ' HG ' ' A' ' 2' ' ' LEU . 1.6 pt? -140.12 93.54 2.65 Favored 'General case' 0 C--N 1.323 -0.579 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 176.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.0 t -176.48 -38.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.634 -0.712 . . . . 0.0 109.21 -174.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 69.14 -80.06 0.04 OUTLIER 'General case' 0 C--O 1.233 0.228 0 CA-C-N 114.862 -1.063 . . . . 0.0 112.432 174.218 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 14.6 t -175.58 36.42 0.01 OUTLIER 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.357 0.599 . . . . 0.0 110.82 -172.289 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 45.5 tp -162.47 -36.24 0.04 OUTLIER 'General case' 0 C--O 1.235 0.295 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.579 -176.396 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.602 ' O ' ' HG2' ' A' ' 11' ' ' GLU . 57.4 tp -64.36 -50.26 68.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.706 -0.225 . . . . 0.0 110.653 -177.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -61.82 -32.32 72.62 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.921 -178.199 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.405 ' O ' ' HG3' ' A' ' 13' ' ' MET . 77.4 mtp -62.16 -45.4 93.61 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.778 -0.646 . . . . 0.0 109.825 177.384 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.435 ' O ' HG13 ' A' ' 14' ' ' ILE . 23.7 m -66.68 -43.16 85.2 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.447 -0.797 . . . . 0.0 110.226 178.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.602 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 19.8 mm-40 -56.94 -41.93 79.13 Favored 'General case' 0 C--O 1.235 0.319 0 CA-C-N 116.081 -0.508 . . . . 0.0 110.433 177.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.484 ' O ' HG23 ' A' ' 16' ' ' VAL . 61.1 tt0 -65.85 -42.72 90.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.767 -0.651 . . . . 0.0 110.957 178.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.421 ' HG2' HD21 ' A' ' 50' ' ' LEU . 80.1 mtp -62.13 -39.59 93.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.67 -0.241 . . . . 0.0 110.957 179.425 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 10' ' ' THR . 81.1 mt -60.2 -44.71 96.0 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.2 0 CA-C-O 121.058 0.456 . . . . 0.0 109.797 175.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 14.8 tp10 -61.79 -46.84 87.81 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.106 -179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.484 HG23 ' O ' ' A' ' 12' ' ' GLN . 62.0 t -62.11 -46.17 97.06 Favored 'Isoleucine or valine' 0 C--O 1.234 0.259 0 CA-C-N 116.56 -0.291 . . . . 0.0 110.882 -179.671 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.2 -46.58 89.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.759 179.659 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -60.77 -47.41 86.45 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 115.9 -0.591 . . . . 0.0 111.484 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 3.2 tppt? -60.21 -49.24 78.39 Favored 'General case' 0 N--CA 1.447 -0.576 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.787 -179.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -66.36 -36.77 92.09 Favored Glycine 0 N--CA 1.45 -0.423 0 CA-C-N 115.82 -0.627 . . . . 0.0 112.881 -177.121 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.412 ' HA ' ' HE1' ' A' ' 99' ' ' PHE . . . -70.72 -39.24 73.52 Favored 'General case' 0 C--N 1.327 -0.385 0 N-CA-C 111.573 0.212 . . . . 0.0 111.573 -178.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 83.5 m-20 -77.69 -28.91 51.18 Favored 'General case' 0 C--N 1.325 -0.478 0 C-N-CA 120.487 -0.485 . . . . 0.0 110.801 178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -64.47 -36.3 83.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.467 0.651 . . . . 0.0 109.421 171.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.693 ' HD1' ' HA ' ' A' ' 89' ' ' SER . 9.4 t80 -65.8 -34.72 78.82 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.186 -0.916 . . . . 0.0 110.135 177.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -68.19 -50.45 54.22 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.779 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -75.58 -27.31 58.5 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.235 -176.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -78.88 58.26 4.27 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.889 -0.672 . . . . 0.0 111.473 175.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -94.67 -18.35 21.4 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -173.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 65.4 t30 -101.92 -47.77 4.47 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.761 -0.376 . . . . 0.0 110.702 -178.42 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 6.7 m -67.6 124.46 23.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.653 179.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.524 ' N ' HD22 ' A' ' 31' ' ' ASN . 0.8 OUTLIER -75.32 -84.74 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 N-CA-C 110.198 -0.297 . . . . 0.0 110.198 -179.126 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.6 p-80 -163.85 70.54 0.22 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.47 0.653 . . . . 0.0 110.824 171.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.5 t -81.26 68.3 7.52 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.432 0.634 . . . . 0.0 110.294 -179.217 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 94.8 m-85 -135.11 149.79 50.09 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.431 -0.804 . . . . 0.0 109.823 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -75.91 -73.52 0.26 Allowed 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.045 175.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.411 ' O ' ' HB ' ' A' ' 40' ' ' ILE . 54.8 t80 -165.19 -72.1 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.987 0.422 . . . . 0.0 110.364 173.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 24.8 p90 -86.01 22.56 1.69 Allowed 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.48 -174.311 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 69.2 mm-40 -60.6 -55.22 35.9 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-O 121.479 0.656 . . . . 0.0 109.395 172.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.433 ' O ' ' HD2' ' A' ' 42' ' ' PRO . 5.2 t -133.52 -19.11 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 114.961 -1.018 . . . . 0.0 110.38 174.797 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.419 ' H ' HD12 ' A' ' 40' ' ' ILE . 4.3 mp -84.0 71.63 0.76 Allowed 'Isoleucine or valine' 0 N--CA 1.455 -0.185 0 CA-C-O 121.483 0.659 . . . . 0.0 109.273 178.485 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.593 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 43.4 tptt -169.52 -57.63 0.0 OUTLIER Pre-proline 0 CA--C 1.536 0.437 0 CA-C-N 115.173 -0.921 . . . . 0.0 110.924 178.327 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.593 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 47.9 Cg_exo -56.96 -33.07 94.64 Favored 'Trans proline' 0 C--N 1.36 1.139 0 C-N-CA 121.805 1.67 . . . . 0.0 112.497 -179.144 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -77.98 -22.38 49.49 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.636 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 66.4 t -62.11 -50.12 81.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.559 -0.291 . . . . 0.0 111.07 -174.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -60.03 -39.47 86.01 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.438 178.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 33.1 mm-40 -64.43 -53.09 53.84 Favored 'General case' 0 N--CA 1.443 -0.78 0 CA-C-O 120.609 0.242 . . . . 0.0 111.134 178.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 14.2 m120 -59.92 -43.98 94.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.454 -178.431 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 28.8 t70 -57.78 -53.42 58.36 Favored 'General case' 0 C--O 1.235 0.316 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.169 179.017 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -61.18 -42.95 99.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.188 177.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.422 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 12.7 tp -58.39 -53.23 60.71 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.313 -0.858 . . . . 0.0 110.685 -177.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.765 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -60.06 -44.62 94.6 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.745 -0.662 . . . . 0.0 111.481 -177.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.57 -52.41 57.75 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.435 -0.348 . . . . 0.0 111.18 -178.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -65.59 -38.01 88.29 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.269 -176.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 51.5 t90 -69.09 -43.11 75.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.715 -0.221 . . . . 0.0 110.598 -178.7 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.58 -46.34 87.14 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.892 0.377 . . . . 0.0 110.324 176.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -59.77 -40.8 89.42 Favored 'General case' 0 N--CA 1.446 -0.675 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.831 178.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -72.91 -42.24 45.95 Favored Glycine 0 N--CA 1.449 -0.456 0 C-N-CA 120.878 -0.677 . . . . 0.0 112.299 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -66.12 -42.51 89.07 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-O 120.788 0.328 . . . . 0.0 110.852 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.678 HD23 HD11 ' A' ' 62' ' ' ILE . 29.3 mt -62.97 -33.9 76.37 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 116.059 -0.518 . . . . 0.0 110.851 178.083 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.522 ' O ' HG23 ' A' ' 64' ' ' VAL . 26.1 tp10 -62.41 -49.32 75.94 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.457 174.585 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 8.6 tt -63.66 -47.41 81.38 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.205 -175.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.678 HD11 HD23 ' A' ' 59' ' ' LEU . 42.8 pt -73.03 -8.4 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.063 0.459 . . . . 0.0 111.014 -179.198 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.439 ' HB3' ' O ' ' A' ' 60' ' ' GLU . 15.1 tttt -81.91 -45.88 14.83 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.777 172.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.522 HG23 ' O ' ' A' ' 60' ' ' GLU . 86.3 t -61.0 -48.36 89.44 Favored 'Isoleucine or valine' 0 C--O 1.233 0.233 0 CA-C-N 115.417 -0.811 . . . . 0.0 111.782 -176.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.428 HH11 ' HD2' ' A' ' 65' ' ' ARG . 0.3 OUTLIER -122.48 177.58 5.34 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.821 -175.696 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 11.7 mpt_? -92.48 108.13 28.99 Favored Pre-proline 0 C--N 1.326 -0.419 0 N-CA-C 110.008 -0.368 . . . . 0.0 110.008 177.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.422 ' HG3' ' HB ' ' A' ' 62' ' ' ILE . 55.9 Cg_endo -70.75 170.91 16.62 Favored 'Trans proline' 0 C--O 1.237 0.445 0 C-N-CA 122.535 2.157 . . . . 0.0 111.518 178.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.595 ' HB3' ' NZ ' ' A' ' 68' ' ' LYS . 0.0 OUTLIER -157.84 -29.71 0.08 Allowed 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.614 -0.266 . . . . 0.0 111.592 178.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -94.36 -36.03 12.12 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-O 121.015 0.436 . . . . 0.0 110.004 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.49 HG21 HG22 ' A' ' 113' ' ' VAL . 7.1 p -103.43 142.13 17.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.58 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.585 177.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -116.51 153.38 32.27 Favored 'General case' 0 C--N 1.326 -0.415 0 N-CA-C 109.866 -0.42 . . . . 0.0 109.866 178.029 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.1 ptpt -67.59 -27.8 67.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.641 -0.254 . . . . 0.0 111.288 -178.022 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 53.2 mm-40 -61.64 -41.13 97.07 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 121.036 0.446 . . . . 0.0 110.405 172.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.468 ' HB3' ' CG2' ' A' ' 109' ' ' THR . 54.9 mt-30 -62.13 -40.53 96.23 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.534 -0.757 . . . . 0.0 111.292 -177.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 41.3 mm -61.63 -43.75 97.57 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.583 0 CA-C-O 121.029 0.443 . . . . 0.0 110.655 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -72.17 -36.42 69.28 Favored 'General case' 0 C--N 1.321 -0.661 0 CA-C-N 115.622 -0.717 . . . . 0.0 110.906 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.96 -47.35 74.92 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.769 178.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.51 HG13 HG13 ' A' ' 106' ' ' VAL . 66.8 t -63.26 -38.75 82.95 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.259 0 CA-C-N 116.599 -0.273 . . . . 0.0 110.681 -179.72 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.765 ' HG3' ' HB1' ' A' ' 51' ' ' ALA . 38.7 ttpt -55.84 -45.69 78.33 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.974 0.416 . . . . 0.0 111.027 179.202 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -77.09 -47.37 20.7 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.044 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -60.92 -38.25 85.13 Favored 'General case' 0 C--N 1.332 -0.193 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.715 -177.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.4 ' O ' HG23 ' A' ' 86' ' ' VAL . 44.7 t80 -61.45 -47.38 85.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.802 0.334 . . . . 0.0 110.612 -177.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 53.2 mt -60.78 -42.18 97.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.966 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.637 ' O ' ' HG2' ' A' ' 88' ' ' GLN . 45.4 tt0 -67.53 -42.93 81.93 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.234 178.041 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.2 tt -54.87 -50.45 68.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.721 -178.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 82' ' ' PHE . 84.2 t -57.52 -46.1 86.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.724 179.31 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 61.7 tp -61.37 -42.67 99.08 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.99 179.361 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.637 ' HG2' ' O ' ' A' ' 84' ' ' GLU . 28.6 mm-40 -65.37 -36.19 83.26 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 -177.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . 0.693 ' HA ' ' HD1' ' A' ' 24' ' ' TYR . 26.7 t -55.93 -38.5 70.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.689 -175.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 71.6 m-85 -82.31 -49.28 10.21 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.56 -0.291 . . . . 0.0 111.739 -177.065 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 33.8 m -78.05 -21.14 13.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 N-CA-C 112.233 0.457 . . . . 0.0 112.233 -173.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 36.3 m80 58.38 53.66 6.19 Favored 'General case' 0 N--CA 1.464 0.254 0 CA-C-O 121.333 0.587 . . . . 0.0 110.08 -177.458 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.431 ' HB3' ' OE1' ' A' ' 88' ' ' GLN . 73.5 t60 -79.08 -44.26 22.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.461 -0.791 . . . . 0.0 111.049 -176.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 22.6 pt -97.68 -168.13 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 120.856 0.36 . . . . 0.0 110.949 -177.354 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 91.3 m-70 -109.57 154.71 22.36 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.507 -0.315 . . . . 0.0 110.635 -178.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.403 ' HB2' ' HE3' ' A' ' 96' ' ' LYS . 49.1 mtmt -56.76 -43.38 80.7 Favored 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 112.542 0.571 . . . . 0.0 112.542 -174.052 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 48.0 mtmt -55.28 -45.28 76.18 Favored 'General case' 0 N--CA 1.466 0.369 0 CA-C-O 120.967 0.413 . . . . 0.0 110.851 -179.307 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.435 ' O ' HG13 ' A' ' 102' ' ' ILE . 8.0 tpm_? -73.95 -39.13 63.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.093 -179.288 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.412 ' HE1' ' HA ' ' A' ' 21' ' ' ALA . 34.6 t80 -63.4 -49.15 74.9 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.765 -178.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 56.6 mmtt -64.46 -31.68 72.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.464 -0.334 . . . . 0.0 110.996 179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 22.9 t70 -68.0 -44.58 76.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.997 0.427 . . . . 0.0 110.414 175.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.435 HG13 ' O ' ' A' ' 98' ' ' ARG . 84.5 mt -60.14 -41.75 87.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.701 173.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 30.1 m -59.24 -45.91 89.9 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.205 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -59.56 -42.64 92.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.055 -0.52 . . . . 0.0 111.425 175.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 38.4 t -57.97 -44.67 87.21 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.06 0.457 . . . . 0.0 110.321 177.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.51 HG13 HG13 ' A' ' 78' ' ' VAL . 98.6 t -67.28 -53.22 34.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.006 178.016 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.539 HD23 HD12 ' A' ' 110' ' ' LEU . 82.4 mt -62.97 -38.19 90.1 Favored 'General case' 0 C--N 1.327 -0.374 0 N-CA-C 112.079 0.4 . . . . 0.0 112.079 -175.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 34.3 t80 -63.11 -40.48 97.74 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.69 -0.485 . . . . 0.0 109.69 179.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 113' ' ' VAL . 86.4 m -64.52 -45.21 88.23 Favored 'General case' 0 N--CA 1.449 -0.478 0 CA-C-N 115.467 -0.788 . . . . 0.0 110.303 175.132 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.539 HD12 HD23 ' A' ' 107' ' ' LEU . 99.1 mt -61.62 -38.04 86.17 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.877 179.119 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -64.08 -37.91 89.16 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.58 -0.282 . . . . 0.0 110.593 176.348 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -66.19 -44.02 85.15 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.702 178.467 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 109' ' ' THR . 50.5 t -65.11 -50.35 74.73 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-N 116.018 -0.537 . . . . 0.0 109.867 178.403 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 63.3 tttp -54.53 -42.68 71.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.527 -0.761 . . . . 0.0 111.109 179.261 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.526 ' O ' ' HB2' ' A' ' 119' ' ' ARG . 19.3 t0 -60.95 -51.2 70.28 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.776 -0.647 . . . . 0.0 110.999 -179.455 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 33.2 mt-10 -68.49 -32.82 73.06 Favored 'General case' 0 C--N 1.331 -0.214 0 N-CA-C 111.651 0.241 . . . . 0.0 111.651 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.48 HG13 ' O ' ' A' ' 113' ' ' VAL . 64.2 mt -63.0 -50.78 78.25 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.308 0 CA-C-O 120.862 0.363 . . . . 0.0 110.303 175.657 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -71.75 -9.79 58.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.155 0.502 . . . . 0.0 110.681 179.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.526 ' HB2' ' O ' ' A' ' 115' ' ' ASP . 6.0 ttt180 -99.36 -7.67 25.91 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.129 179.843 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.458 ' HB2' ' O ' ' A' ' 117' ' ' ILE . 13.8 mm-40 -65.31 -61.85 1.88 Allowed 'General case' 0 C--O 1.232 0.183 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.744 177.435 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -125.63 158.7 34.03 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 -178.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 18.3 m -128.8 161.58 29.44 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 120.764 0.316 . . . . 0.0 111.039 -175.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 . . . . . 0 C--N 1.328 -0.359 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.658 178.948 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 N--CA 1.479 0.998 0 CA-C-O 120.968 0.413 . . . . 0.0 110.473 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 36.1 tp -142.25 63.93 1.39 Allowed 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 116.193 -0.458 . . . . 0.0 109.961 178.132 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 75.5 m 54.74 57.0 6.08 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 115.59 -0.732 . . . . 0.0 111.868 179.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -74.44 133.31 42.41 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.012 0.434 . . . . 0.0 110.051 177.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.434 HG22 ' HB3' ' A' ' 7' ' ' LEU . 9.6 m -73.01 109.82 6.83 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.808 -177.855 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 62.3 tp -59.62 -35.08 73.65 Favored 'General case' 0 C--O 1.235 0.323 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.076 177.605 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.439 HD11 ' HG3' ' A' ' 114' ' ' LYS . 57.7 tp -56.48 -46.44 80.43 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.613 -0.721 . . . . 0.0 111.045 177.101 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 35.9 mm-40 -63.73 -37.48 87.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.505 -0.316 . . . . 0.0 111.605 -177.364 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 44.8 ttp -70.04 -36.68 75.19 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.9 0.381 . . . . 0.0 109.984 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.566 ' O ' HG13 ' A' ' 14' ' ' ILE . 27.5 m -64.07 -44.45 92.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.858 -0.61 . . . . 0.0 109.777 174.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 -52.7 -51.19 61.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 115.813 -0.63 . . . . 0.0 111.429 176.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.495 ' O ' HG23 ' A' ' 16' ' ' VAL . 62.1 tt0 -59.99 -43.51 95.1 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.772 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 21.0 ttt -64.32 -38.17 90.1 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.571 -179.309 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.566 HG13 ' O ' ' A' ' 10' ' ' THR . 73.3 mt -60.89 -46.59 96.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.286 176.811 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -60.93 -39.35 89.09 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.174 -177.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 12' ' ' GLN . 62.1 t -64.64 -40.21 88.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.613 -0.267 . . . . 0.0 110.782 179.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.08 -44.77 91.37 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.891 0.377 . . . . 0.0 110.494 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 24.4 mm-40 -58.49 -49.02 78.86 Favored 'General case' 0 N--CA 1.453 -0.317 0 CA-C-N 115.87 -0.605 . . . . 0.0 110.65 175.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.609 ' HA ' ' HB3' ' A' ' 22' ' ' ASP . 29.6 mmtm -70.49 -22.63 62.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 115.916 -0.584 . . . . 0.0 112.044 -178.629 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -65.28 -47.02 84.45 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.47 -0.872 . . . . 0.0 111.694 173.638 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.541 ' HB2' HG21 ' A' ' 103' ' ' THR . . . -68.06 -37.74 81.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.252 0.548 . . . . 0.0 109.999 175.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.609 ' HB3' ' HA ' ' A' ' 19' ' ' LYS . 9.9 t70 -58.44 -41.86 86.02 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.267 -0.879 . . . . 0.0 110.716 174.666 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.401 ' HB2' ' O ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -63.75 -34.75 78.59 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.475 -178.67 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 60.1 t80 -72.06 -36.89 69.72 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.425 175.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.1 tt0 -63.73 -46.81 83.69 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.593 -0.73 . . . . 0.0 110.686 178.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.42 ' HB3' ' HB2' ' A' ' 29' ' ' ASN . 11.3 mm-40 -68.79 -61.2 1.91 Allowed 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 115.547 -0.751 . . . . 0.0 111.886 -178.591 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 81.43 -61.41 4.62 Favored Glycine 0 CA--C 1.519 0.338 0 C-N-CA 120.611 -0.804 . . . . 0.0 112.057 -175.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 29.1 mttp -115.11 51.63 0.9 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 121.158 0.504 . . . . 0.0 111.236 178.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.42 ' HB2' ' HB3' ' A' ' 26' ' ' GLU . 28.5 t-20 -69.04 -36.98 78.31 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.676 -0.693 . . . . 0.0 110.474 177.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 28.9 p -155.82 133.72 11.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.192 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 28.0 p30 -92.01 -12.0 34.45 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 121.075 0.464 . . . . 0.0 110.497 178.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -95.23 162.33 13.74 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.171 -1.048 . . . . 0.0 108.171 167.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.491 ' HA ' ' CB ' ' A' ' 38' ' ' GLU . 25.3 m 73.16 -49.31 0.69 Allowed 'General case' 0 N--CA 1.467 0.383 0 O-C-N 123.503 0.502 . . . . 0.0 110.548 -176.254 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 51.4 t80 -82.09 73.77 9.11 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-O 121.652 0.739 . . . . 0.0 109.523 173.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -152.33 57.56 0.83 Allowed 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.198 -0.91 . . . . 0.0 108.793 177.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 64.8 t80 61.83 -83.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 114.635 -1.166 . . . . 0.0 111.999 -178.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 78.0 t80 -60.27 -46.82 88.5 Favored 'General case' 0 N--CA 1.467 0.409 0 N-CA-C 112.919 0.711 . . . . 0.0 112.919 -169.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.491 ' CB ' ' HA ' ' A' ' 33' ' ' SER . 36.8 mt-10 -63.21 -27.38 69.31 Favored 'General case' 0 C--N 1.33 -0.243 0 N-CA-C 112.262 0.467 . . . . 0.0 112.262 -173.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.538 HG23 HG12 ' A' ' 40' ' ' ILE . 9.3 t -107.29 -39.18 5.75 Favored 'General case' 0 C--N 1.325 -0.498 0 C-N-CA 120.55 -0.46 . . . . 0.0 111.539 -178.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.538 HG12 HG23 ' A' ' 39' ' ' THR . 39.3 mm -91.28 65.23 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.66 0.743 . . . . 0.0 109.494 -179.071 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.637 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 46.2 tptt -170.13 -60.8 0.0 OUTLIER Pre-proline 0 C--N 1.323 -0.571 0 CA-C-N 114.835 -1.075 . . . . 0.0 110.354 174.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.637 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 6.4 Cg_exo -73.89 -47.07 0.28 Allowed 'Trans proline' 0 C--N 1.358 1.035 0 C-N-CA 121.709 1.606 . . . . 0.0 111.443 179.706 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -63.83 -30.43 71.52 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.185 -178.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 58.9 t -63.61 -54.98 25.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.707 -179.126 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -61.96 -44.28 97.09 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.695 -178.483 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.426 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 45.0 mm-40 -56.2 -54.31 46.73 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.452 179.44 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -68.85 -36.01 77.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.5 -178.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.546 ' HA ' HD21 ' A' ' 83' ' ' LEU . 28.0 t70 -55.49 -52.99 61.82 Favored 'General case' 0 N--CA 1.465 0.278 0 CA-C-O 120.98 0.419 . . . . 0.0 110.565 175.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -71.33 -30.59 66.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.045 178.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.426 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 12.5 tp -63.38 -51.67 64.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.946 0.403 . . . . 0.0 110.264 -179.528 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.63 -38.07 86.33 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.723 -0.671 . . . . 0.0 110.66 179.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.41 -51.35 66.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.841 177.055 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 29.0 mmt180 -59.6 -45.4 92.01 Favored 'General case' 0 N--CA 1.447 -0.618 0 CA-C-N 115.976 -0.557 . . . . 0.0 111.33 179.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 78.2 t90 -62.41 -45.82 91.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.466 179.46 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.63 -43.7 89.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.418 177.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -60.46 -48.56 81.24 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 116.046 -0.525 . . . . 0.0 111.105 177.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.61 -41.58 99.79 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.965 -0.636 . . . . 0.0 112.363 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.498 ' HB1' HD13 ' A' ' 75' ' ' ILE . . . -66.11 -43.07 88.25 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 120.786 0.327 . . . . 0.0 110.864 178.651 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.6 HD23 HD11 ' A' ' 62' ' ' ILE . 51.3 mt -65.53 -36.29 83.38 Favored 'General case' 0 N--CA 1.449 -0.509 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.091 178.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.434 ' O ' ' HB3' ' A' ' 63' ' ' LYS . 9.2 tp10 -63.73 -42.49 97.88 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.271 176.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 59.8 tp -63.43 -47.3 82.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.988 -0.551 . . . . 0.0 111.067 -179.763 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.6 HD11 HD23 ' A' ' 59' ' ' LEU . 34.8 pt -79.68 -2.14 5.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 121.391 0.615 . . . . 0.0 110.912 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.434 ' HB3' ' O ' ' A' ' 60' ' ' GLU . 0.1 OUTLIER -82.65 -36.35 26.1 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.38 -0.827 . . . . 0.0 109.233 171.3 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 68.3 t -68.08 -55.31 17.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.394 178.184 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.436 ' HB3' ' H ' ' A' ' 66' ' ' ARG . 64.7 mtt180 -136.45 -161.96 1.22 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.93 -0.577 . . . . 0.0 110.616 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.436 ' H ' ' HB3' ' A' ' 65' ' ' ARG . 8.0 mpt_? -90.58 149.06 40.05 Favored Pre-proline 0 C--N 1.324 -0.534 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.787 -179.493 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.414 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 8.1 Cg_exo -70.38 138.39 35.74 Favored 'Trans proline' 0 C--O 1.236 0.422 0 C-N-CA 122.644 2.23 . . . . 0.0 110.817 173.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.0 mmmm -86.9 -55.84 3.66 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.86 -0.336 . . . . 0.0 110.996 -173.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 81.2 m-85 -125.33 -43.7 1.91 Allowed 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.582 -0.281 . . . . 0.0 110.857 -179.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 9.4 p -61.78 154.12 5.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 N-CA-C 109.632 -0.507 . . . . 0.0 109.632 172.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . 0.432 ' O ' HG13 ' A' ' 75' ' ' ILE . 27.9 m80 -129.36 149.28 51.21 Favored 'General case' 0 C--N 1.322 -0.595 0 N-CA-C 110.004 -0.369 . . . . 0.0 110.004 -179.315 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 26.2 ttpp -60.61 -35.89 77.25 Favored 'General case' 0 C--N 1.33 -0.261 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 27.2 tt0 -48.69 -49.99 35.34 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 114.769 -1.105 . . . . 0.0 110.617 172.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 29.1 mt-30 -71.58 -40.04 70.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.538 -0.756 . . . . 0.0 111.604 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.498 HD13 ' HB1' ' A' ' 58' ' ' ALA . 93.2 mt -59.62 -45.16 94.48 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.412 0 CA-C-O 120.814 0.34 . . . . 0.0 111.231 -178.579 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -70.56 -32.49 69.92 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 121.1 0.476 . . . . 0.0 110.533 -178.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -70.3 -51.31 31.24 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.797 177.387 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.429 HG13 HG22 ' A' ' 106' ' ' VAL . 54.6 t -58.97 -40.84 81.47 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.18 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.042 -178.029 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.551 ' HD3' ' N ' ' A' ' 80' ' ' ASP . 11.7 tmtt? -51.36 -53.14 39.34 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.422 178.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.551 ' N ' ' HD3' ' A' ' 79' ' ' LYS . 0.7 OUTLIER -78.21 -39.34 40.84 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.998 -0.546 . . . . 0.0 111.125 -174.795 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 93.7 m-20 -63.9 -34.72 78.59 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.189 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.491 ' HZ ' ' HB ' ' A' ' 16' ' ' VAL . 50.2 t80 -62.01 -40.91 97.28 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.548 -179.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.546 HD21 ' HA ' ' A' ' 48' ' ' ASP . 84.8 mt -65.05 -38.05 89.56 Favored 'General case' 0 C--O 1.237 0.4 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.738 178.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -70.87 -38.35 73.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.628 176.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.576 HD12 HG22 ' A' ' 102' ' ' ILE . 6.2 tt -56.59 -51.98 66.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.147 179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 63.5 t -58.42 -46.03 89.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.875 -179.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.527 ' O ' HG22 ' A' ' 91' ' ' VAL . 48.6 tp -64.98 -47.73 76.53 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.091 -179.244 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.434 ' HA ' HG22 ' A' ' 91' ' ' VAL . 17.1 mm-40 -63.13 -27.58 69.48 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 112.194 0.442 . . . . 0.0 112.194 -176.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 15.7 t -67.61 -18.87 65.13 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-O 120.627 0.251 . . . . 0.0 110.6 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 78.5 m-85 -110.48 -34.74 6.23 Favored 'General case' 0 C--N 1.331 -0.208 0 N-CA-C 112.123 0.416 . . . . 0.0 112.123 -179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.527 HG22 ' O ' ' A' ' 87' ' ' LEU . 28.0 m -82.84 -23.91 8.56 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.303 0 C-N-CA 120.876 -0.33 . . . . 0.0 111.52 179.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 58.85 45.29 15.58 Favored 'General case' 0 N--CA 1.468 0.474 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 172.022 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -118.85 70.3 0.82 Allowed 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 122.503 1.144 . . . . 0.0 110.995 173.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.517 HG13 ' HB2' ' A' ' 99' ' ' PHE . 0.2 OUTLIER -129.01 164.57 31.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 114.532 -1.213 . . . . 0.0 108.744 172.784 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -89.04 -71.21 0.61 Allowed 'General case' 0 C--N 1.321 -0.656 0 C-N-CA 120.709 -0.396 . . . . 0.0 110.465 -177.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 60.3 tttp -159.98 -71.89 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 C-N-CA 120.924 -0.311 . . . . 0.0 111.799 178.497 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.452 ' NZ ' ' HB2' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -69.67 -28.86 66.22 Favored 'General case' 0 C--N 1.331 -0.209 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 -170.022 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 42.2 ttm180 -59.69 -49.71 76.67 Favored 'General case' 0 C--N 1.329 -0.296 0 N-CA-C 111.773 0.286 . . . . 0.0 111.773 -175.603 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.517 ' HB2' HG13 ' A' ' 94' ' ' ILE . 73.0 t80 -61.69 -40.89 96.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.031 0.444 . . . . 0.0 110.289 -177.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 14.0 tmtt? -67.36 -48.44 67.45 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.141 179.216 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -61.14 -47.49 85.98 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 115.661 -0.7 . . . . 0.0 111.156 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.576 HG22 HD12 ' A' ' 85' ' ' LEU . 60.4 mt -58.2 -48.94 83.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.217 178.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.541 HG21 ' HB2' ' A' ' 21' ' ' ALA . 37.4 m -59.8 -46.43 89.24 Favored 'General case' 0 CA--C 1.531 0.233 0 CA-C-O 121.129 0.49 . . . . 0.0 110.478 -179.114 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -64.74 -46.24 83.07 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.623 -0.717 . . . . 0.0 111.155 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 5.4 t -57.56 -47.53 81.81 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.73 -0.668 . . . . 0.0 110.341 179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.429 HG22 HG13 ' A' ' 78' ' ' VAL . 74.3 t -59.61 -49.81 82.31 Favored 'Isoleucine or valine' 0 C--O 1.232 0.183 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.645 177.624 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 103' ' ' THR . 95.4 mt -57.97 -47.77 81.96 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.978 178.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 86.0 t80 -55.11 -51.43 66.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.132 179.019 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.443 ' O ' HG23 ' A' ' 113' ' ' VAL . 75.4 m -61.09 -44.15 97.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.816 179.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 93.9 mt -62.04 -38.59 89.31 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.731 0.3 . . . . 0.0 111.255 178.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 66.0 m170 -66.11 -36.76 84.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.347 178.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.66 -49.13 69.74 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.611 178.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.443 HG23 ' O ' ' A' ' 109' ' ' THR . 62.3 t -61.81 -45.6 98.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 115.835 -0.62 . . . . 0.0 109.991 -179.17 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.439 ' HG3' HD11 ' A' ' 7' ' ' LEU . 83.3 tttt -55.81 -48.38 75.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.588 -0.733 . . . . 0.0 111.084 179.163 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -68.26 -43.3 78.14 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.987 -175.142 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -59.07 -43.09 91.74 Favored 'General case' 0 C--O 1.233 0.203 0 CA-C-N 116.633 -0.258 . . . . 0.0 110.975 177.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.438 HG13 ' O ' ' A' ' 113' ' ' VAL . 87.4 mt -60.49 -50.74 79.17 Favored 'Isoleucine or valine' 0 N--CA 1.462 0.15 0 CA-C-O 120.921 0.391 . . . . 0.0 110.422 176.489 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.596 ' O ' ' HB2' ' A' ' 122' ' ' SER . . . -69.3 -17.44 63.73 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.581 -179.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 15.9 ttm-85 -84.43 -19.42 33.48 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-O 121.294 0.568 . . . . 0.0 109.836 178.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -87.26 -51.83 5.74 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.693 -0.685 . . . . 0.0 110.424 174.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -140.3 129.07 23.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.142 177.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.596 ' HB2' ' O ' ' A' ' 118' ' ' ALA . 17.3 t -148.55 -166.17 2.47 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-O 120.976 0.417 . . . . 0.0 110.636 -175.564 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 34.5 ptt180 . . . . . 0 C--N 1.324 -0.523 0 CA-C-N 115.454 -0.794 . . . . 0.0 111.285 -179.944 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.6 mtt . . . . . 0 N--CA 1.479 1.015 0 CA-C-O 121.014 0.435 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 55.9 mt -89.02 -47.61 8.0 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.546 -173.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 m 70.32 3.27 4.37 Favored 'General case' 0 N--CA 1.467 0.401 0 O-C-N 123.818 0.698 . . . . 0.0 110.393 -172.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.523 ' HB3' ' HB2' ' A' ' 7' ' ' LEU . 64.4 mm-40 -87.62 109.45 19.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.566 -0.743 . . . . 0.0 110.572 179.41 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 4.2 m -60.57 -43.79 96.92 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.053 -0.521 . . . . 0.0 111.473 -179.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 43.8 tp -77.98 -20.11 53.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.415 -174.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.523 ' HB2' ' HB3' ' A' ' 4' ' ' GLN . 0.3 OUTLIER -71.39 -49.08 45.57 Favored 'General case' 0 C--N 1.326 -0.422 0 N-CA-C 110.141 -0.318 . . . . 0.0 110.141 -176.818 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -65.32 -28.61 69.42 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.658 0.266 . . . . 0.0 110.956 -178.536 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 83.7 mtp -61.15 -47.16 87.48 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 173.077 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.527 ' O ' HG13 ' A' ' 14' ' ' ILE . 31.0 m -63.88 -49.74 71.53 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.537 -0.756 . . . . 0.0 110.404 177.549 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 9.6 mm-40 -52.58 -39.6 61.74 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.415 177.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.466 ' O ' HG23 ' A' ' 16' ' ' VAL . 58.3 tp60 -61.17 -45.24 95.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.812 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.453 ' SD ' HD21 ' A' ' 110' ' ' LEU . 48.2 ttm -68.93 -36.25 77.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.425 179.614 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.527 HG13 ' O ' ' A' ' 10' ' ' THR . 67.2 mt -63.77 -42.83 97.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.116 177.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 19' ' ' LYS . 38.6 tt0 -58.34 -41.69 85.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.883 178.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.466 HG23 ' O ' ' A' ' 12' ' ' GLN . 48.0 t -65.37 -40.53 88.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.731 0.3 . . . . 0.0 110.704 179.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.65 -49.36 73.51 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.527 177.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -59.69 -44.54 93.6 Favored 'General case' 0 N--CA 1.449 -0.494 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.197 176.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.477 ' HB2' ' O ' ' A' ' 15' ' ' GLU . 15.2 ttmm -58.85 -44.74 91.05 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 116.037 -0.528 . . . . 0.0 110.436 -178.826 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -68.39 -42.91 80.7 Favored Glycine 0 N--CA 1.45 -0.43 0 C-N-CA 120.867 -0.682 . . . . 0.0 112.302 178.024 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -62.49 -43.3 99.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.718 0.295 . . . . 0.0 110.998 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 22.3 t70 -63.85 -40.78 97.39 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.983 0.421 . . . . 0.0 110.319 178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 23' ' ' ARG . 3.6 tpp180 -65.02 -41.01 95.7 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.792 -0.64 . . . . 0.0 110.434 178.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 87.4 t80 -66.36 -41.39 89.56 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.695 -0.684 . . . . 0.0 110.412 178.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 60.7 tt0 -68.36 -43.03 78.29 Favored 'General case' 0 C--O 1.235 0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.661 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.1 tm-20 -59.76 -50.97 71.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.768 -0.651 . . . . 0.0 109.579 177.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.97 96.97 0.62 Allowed Glycine 0 N--CA 1.45 -0.409 0 C-N-CA 120.899 -0.667 . . . . 0.0 113.289 174.128 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 25.8 mmtm -108.53 103.28 12.36 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 121.231 0.539 . . . . 0.0 110.686 176.558 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -117.66 16.48 14.5 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.301 -0.863 . . . . 0.0 108.849 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 31.2 m -146.97 161.46 40.75 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 114.9 -1.046 . . . . 0.0 109.239 178.15 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 37.3 t30 69.17 112.96 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.357 0 O-C-N 123.895 0.747 . . . . 0.0 110.658 -177.351 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -70.63 82.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.15 -176.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.1 m -122.89 10.09 9.49 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-O 121.59 0.709 . . . . 0.0 109.923 174.732 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 39.5 p90 -135.22 142.88 46.11 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 115.167 -0.924 . . . . 0.0 109.464 179.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.54 ' HB3' ' H ' ' A' ' 36' ' ' PHE . 0.4 OUTLIER -175.68 -102.64 0.0 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 O-C-N 123.326 0.391 . . . . 0.0 110.705 179.154 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.556 ' HA ' HD12 ' A' ' 40' ' ' ILE . 0.2 OUTLIER -167.09 167.39 14.51 Favored 'General case' 0 C--O 1.232 0.155 0 CA-C-N 116.765 -0.198 . . . . 0.0 110.662 -178.527 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 68.85 -67.6 0.21 Allowed 'General case' 0 N--CA 1.469 0.501 0 N-CA-C 113.672 0.99 . . . . 0.0 113.672 172.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 29.1 mt-10 -57.37 -54.94 41.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.636 0.255 . . . . 0.0 111.574 -173.779 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.431 HG23 HG13 ' A' ' 40' ' ' ILE . 5.0 t -89.61 -31.23 17.66 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.022 0.439 . . . . 0.0 110.534 176.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.556 HD12 ' HA ' ' A' ' 36' ' ' PHE . 42.0 mt -90.76 73.4 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 121.267 0.556 . . . . 0.0 110.004 -179.436 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.616 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 21.6 ttpp -164.49 -58.14 0.01 OUTLIER Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 115.393 -0.821 . . . . 0.0 111.222 178.355 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.616 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 13.6 Cg_exo -68.88 -43.84 3.2 Favored 'Trans proline' 0 C--N 1.357 1.022 0 C-N-CA 121.333 1.355 . . . . 0.0 111.151 178.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -65.08 -30.6 71.57 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.501 -0.772 . . . . 0.0 110.995 179.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 61.1 t -64.96 -50.51 74.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.405 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -56.96 -46.52 82.08 Favored 'General case' 0 N--CA 1.452 -0.343 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.93 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.477 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 17.7 mm-40 -59.25 -56.25 24.57 Favored 'General case' 0 N--CA 1.443 -0.801 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.446 179.101 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 41.5 m-80 -67.91 -36.39 80.11 Favored 'General case' 0 C--N 1.328 -0.355 0 N-CA-C 112.021 0.378 . . . . 0.0 112.021 -173.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -59.61 -52.91 63.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.905 0.383 . . . . 0.0 110.765 177.586 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -74.79 -27.17 60.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.878 -179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.477 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 16.2 tp -61.46 -49.49 76.59 Favored 'General case' 0 CA--C 1.514 -0.407 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 174.673 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.442 ' HA ' ' HE1' ' A' ' 13' ' ' MET . . . -62.6 -40.63 97.54 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.703 177.63 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.7 -46.17 89.37 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.911 178.445 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 26.1 mmt180 -70.58 -37.7 73.96 Favored 'General case' 0 N--CA 1.445 -0.692 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.347 179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 84.2 t90 -66.56 -43.0 86.24 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.131 178.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -58.81 -46.66 87.09 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.275 176.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -57.97 -48.32 80.33 Favored 'General case' 0 N--CA 1.429 -1.507 0 CA-C-N 115.847 -0.615 . . . . 0.0 110.897 177.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.67 -41.73 99.78 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 121.165 -0.541 . . . . 0.0 112.459 179.416 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -65.27 -45.59 83.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.591 0.234 . . . . 0.0 110.908 178.492 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 72.3 mt -61.01 -40.46 93.64 Favored 'General case' 0 N--CA 1.45 -0.455 0 CA-C-O 120.991 0.424 . . . . 0.0 110.7 178.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -60.7 -47.62 85.46 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.018 176.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.4 -50.49 71.34 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.842 -177.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . . . . . . . . . 41.9 pt -68.74 -22.1 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.269 0 CA-C-O 120.713 0.292 . . . . 0.0 111.77 -176.335 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.442 ' HE2' ' HB3' ' A' ' 63' ' ' LYS . 3.9 tmmm? -79.62 -43.37 22.99 Favored 'General case' 0 N--CA 1.442 -0.838 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 -179.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 99.5 t -73.14 -51.92 24.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.484 178.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 23.1 mmt180 -91.35 -88.32 0.19 Allowed 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 116.008 -0.542 . . . . 0.0 111.303 -177.538 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.405 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 32.7 ptt180 175.69 155.59 0.37 Allowed Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.818 -174.257 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.405 ' HD3' ' HA ' ' A' ' 66' ' ' ARG . 4.6 Cg_exo -81.2 107.86 1.93 Allowed 'Trans proline' 0 N--CA 1.459 -0.555 0 C-N-CA 122.725 2.283 . . . . 0.0 110.388 169.163 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.687 ' HB3' ' HG2' ' A' ' 116' ' ' GLU . 10.9 tmtt? -87.79 -38.19 15.95 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -175.122 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.615 ' HB2' ' HB1' ' A' ' 112' ' ' ALA . 66.9 m-85 -129.86 -54.21 1.14 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.305 0.574 . . . . 0.0 110.136 174.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.511 HG23 HG23 ' A' ' 109' ' ' THR . 9.5 p -66.78 146.87 12.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 115.093 -0.958 . . . . 0.0 111.945 -173.482 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 75.6 m80 -105.47 155.25 19.34 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.356 -0.838 . . . . 0.0 109.334 175.006 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -61.53 -38.84 88.89 Favored 'General case' 0 C--N 1.324 -0.53 0 N-CA-C 109.884 -0.413 . . . . 0.0 109.884 -178.258 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.447 ' H ' ' CD ' ' A' ' 73' ' ' GLU . 1.7 mp0 -59.1 -42.92 91.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 115.698 -0.683 . . . . 0.0 110.4 178.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.538 ' O ' HG23 ' A' ' 78' ' ' VAL . 51.7 mt-30 -58.09 -44.73 87.77 Favored 'General case' 0 C--O 1.224 -0.268 0 CA-C-N 115.829 -0.623 . . . . 0.0 111.132 -178.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 59.9 mt -58.56 -40.37 78.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.38 -175.757 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 53.5 mt-10 -75.89 -37.9 58.37 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-O 121.16 0.505 . . . . 0.0 110.266 179.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.25 -36.57 81.9 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.727 -0.669 . . . . 0.0 111.468 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 74' ' ' GLN . 53.3 t -60.75 -40.77 86.04 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.313 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.105 -178.547 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 86.4 tttt -58.36 -49.33 77.6 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.036 0.446 . . . . 0.0 110.217 178.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -59.93 -50.71 72.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.997 179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.557 ' HB3' HG23 ' A' ' 102' ' ' ILE . 29.1 m-80 -67.1 -40.11 86.85 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.966 -176.396 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.428 ' HZ ' ' HB ' ' A' ' 16' ' ' VAL . 55.2 t80 -66.95 -42.54 85.09 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.451 -0.341 . . . . 0.0 110.642 -177.134 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 66.4 mt -63.21 -43.13 98.98 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.65 178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 63.5 mm-40 -61.8 -39.22 90.96 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.483 -0.326 . . . . 0.0 110.368 175.604 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.529 HD12 HG22 ' A' ' 102' ' ' ILE . 7.8 tt -59.94 -53.28 59.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.947 -0.57 . . . . 0.0 110.136 178.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 97.9 t -61.27 -45.07 99.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.993 -178.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 53.2 tp -59.88 -45.17 93.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 121.218 0.533 . . . . 0.0 111.22 -179.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -92.0 6.93 44.48 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.396 -175.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 33.1 t -70.95 -38.45 72.83 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.045 0.45 . . . . 0.0 110.257 179.353 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 38.5 m-85 -83.55 -54.85 4.65 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.632 179.881 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 31.4 m -74.01 -24.62 19.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 111.966 0.358 . . . . 0.0 111.966 -175.437 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 31.8 m170 57.3 58.65 3.76 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-O 121.203 0.525 . . . . 0.0 111.277 -178.068 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -71.72 -19.67 62.02 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 115.627 -0.715 . . . . 0.0 110.016 176.633 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 11.6 pt -126.98 98.11 4.5 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.322 175.051 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -109.14 71.3 0.77 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 121.666 0.746 . . . . 0.0 110.36 177.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.573 ' HG3' ' H ' ' A' ' 97' ' ' LYS . 13.0 tptm -166.73 -161.85 0.47 Allowed 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.257 -0.883 . . . . 0.0 109.203 -177.572 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.573 ' H ' ' HG3' ' A' ' 96' ' ' LYS . 98.8 mttt -59.47 -29.04 67.53 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 111.725 0.269 . . . . 0.0 111.725 -177.584 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 16.2 tpp180 -53.02 -47.52 68.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.256 -177.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -66.23 -40.47 90.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.171 -179.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.408 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 50.1 mtpt -64.72 -48.93 72.84 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.652 -179.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -60.62 -41.8 95.59 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.82 -178.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.557 HG23 ' HB3' ' A' ' 81' ' ' ASN . 64.2 mt -58.26 -49.71 80.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.031 -0.532 . . . . 0.0 110.326 174.423 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 33.8 m -57.39 -45.23 84.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.536 177.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 100' ' ' LYS . 9.2 mm-40 -58.29 -49.22 77.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.749 -0.66 . . . . 0.0 110.996 178.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 44.1 m -60.31 -42.47 95.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.154 -178.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.437 HG23 ' O ' ' A' ' 102' ' ' ILE . 91.0 t -67.17 -52.05 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.429 -0.35 . . . . 0.0 110.49 179.051 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 29.7 mt -58.73 -44.6 90.51 Favored 'General case' 0 C--O 1.233 0.2 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.492 -179.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -58.21 -48.65 79.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.523 -0.308 . . . . 0.0 110.686 178.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.511 HG23 HG23 ' A' ' 70' ' ' VAL . 28.0 m -64.68 -43.73 92.6 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.97 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.453 HD21 ' SD ' ' A' ' 13' ' ' MET . 92.3 mt -62.03 -43.95 97.74 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.497 -0.32 . . . . 0.0 111.115 179.747 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -65.33 -34.9 79.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.894 0.378 . . . . 0.0 110.45 179.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.615 ' HB1' ' HB2' ' A' ' 69' ' ' TYR . . . -67.21 -50.69 59.94 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.587 -0.733 . . . . 0.0 111.154 -179.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.558 ' O ' HG13 ' A' ' 117' ' ' ILE . 64.4 t -67.35 -38.58 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.353 -177.097 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.51 ' HE3' HD11 ' A' ' 7' ' ' LEU . 87.3 tttt -56.51 -43.54 79.86 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.717 -0.674 . . . . 0.0 110.681 177.722 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -69.1 -35.08 76.07 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.437 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.687 ' HG2' ' HB3' ' A' ' 68' ' ' LYS . 51.2 mt-10 -66.86 -38.04 85.59 Favored 'General case' 0 C--O 1.234 0.262 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.053 178.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.558 HG13 ' O ' ' A' ' 113' ' ' VAL . 78.6 mt -60.21 -50.23 81.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.713 178.18 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -75.82 -9.51 58.66 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.469 -178.832 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -81.23 -55.32 4.81 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.013 -0.539 . . . . 0.0 111.588 -179.464 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -91.09 -64.36 1.14 Allowed 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.832 -0.347 . . . . 0.0 111.774 -170.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -98.11 72.42 2.17 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.221 0.534 . . . . 0.0 110.21 179.703 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 24.7 p -75.06 -37.31 61.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.547 -0.752 . . . . 0.0 111.81 -174.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 34.7 ttp180 . . . . . 0 C--N 1.325 -0.476 0 CA-C-O 120.786 0.327 . . . . 0.0 110.66 -177.957 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.222 0 CA-C-O 120.553 0.216 . . . . 0.0 110.955 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 4.1 pp -70.01 142.65 52.74 Favored 'General case' 0 C--N 1.331 -0.199 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 177.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.519 ' HB2' HD22 ' A' ' 7' ' ' LEU . 13.5 m -111.03 93.75 4.64 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 120.945 0.403 . . . . 0.0 111.423 -176.348 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 64.37 -172.26 0.18 Allowed 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.576 -0.738 . . . . 0.0 112.016 175.559 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 18.3 m -86.56 -39.67 15.96 Favored 'General case' 0 CA--C 1.533 0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 112.191 -174.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.1 tp -61.37 -23.31 65.68 Favored 'General case' 0 N--CA 1.465 0.299 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.538 -175.298 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.519 HD22 ' HB2' ' A' ' 3' ' ' SER . 32.9 tp -63.41 -47.57 81.4 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.515 -0.311 . . . . 0.0 110.762 -179.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -52.33 -42.48 63.89 Favored 'General case' 0 N--CA 1.462 0.172 0 CA-C-O 121.098 0.475 . . . . 0.0 111.389 -178.078 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 64.8 mtp -59.64 -45.97 90.41 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.654 -0.703 . . . . 0.0 110.812 178.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.432 ' O ' HG13 ' A' ' 14' ' ' ILE . 24.4 m -71.25 -38.1 71.94 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 -179.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 7' ' ' LEU . 21.7 mm-40 -56.57 -44.03 80.58 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.718 178.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.514 ' O ' HG23 ' A' ' 16' ' ' VAL . 60.1 tp60 -65.21 -44.24 88.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.261 177.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 74.5 mmm -54.68 -44.17 73.12 Favored 'General case' 0 C--O 1.236 0.395 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.865 179.243 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.432 HG13 ' O ' ' A' ' 10' ' ' THR . 77.6 mt -59.62 -51.94 66.8 Favored 'Isoleucine or valine' 0 C--O 1.233 0.235 0 CA-C-N 115.609 -0.723 . . . . 0.0 111.362 -179.234 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.564 ' HG2' ' HD3' ' A' ' 19' ' ' LYS . 21.9 tt0 -66.21 -34.99 79.28 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.29 -176.238 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.514 HG23 ' O ' ' A' ' 12' ' ' GLN . 76.9 t -59.3 -46.29 92.52 Favored 'Isoleucine or valine' 0 N--CA 1.463 0.209 0 CA-C-O 120.674 0.273 . . . . 0.0 110.957 179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.58 -49.77 76.23 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -62.63 -35.84 80.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.839 177.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.564 ' HD3' ' HG2' ' A' ' 15' ' ' GLU . 1.2 tptm -64.12 -47.55 79.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.533 -0.303 . . . . 0.0 110.572 177.404 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.04 -43.71 99.1 Favored Glycine 0 C--N 1.333 0.37 0 CA-C-N 115.802 -0.635 . . . . 0.0 112.148 178.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' O ' ' HB2' ' A' ' 25' ' ' GLN . . . -59.48 -46.64 88.22 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.714 0.293 . . . . 0.0 110.575 176.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 7.6 t70 -58.75 -48.24 81.88 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.209 179.141 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.2 tpt180 -58.84 -43.38 90.7 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.877 -175.493 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -75.04 -41.42 59.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.956 -179.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 21' ' ' ALA . 0.0 OUTLIER -63.38 -41.57 98.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.097 0.475 . . . . 0.0 109.771 -178.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.46 ' HG2' ' HB2' ' A' ' 28' ' ' LYS . 45.6 tt0 -65.76 -61.3 2.15 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.536 179.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 48.41 52.84 17.88 Favored Glycine 0 C--N 1.338 0.653 0 CA-C-N 116.18 -0.464 . . . . 0.0 112.466 -179.47 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.46 ' HB2' ' HG2' ' A' ' 26' ' ' GLU . 19.8 tptm -107.71 18.49 21.32 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.151 0.501 . . . . 0.0 110.602 -174.001 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.4 t30 -124.82 131.56 53.43 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-O 121.093 0.473 . . . . 0.0 111.103 -177.468 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 37.1 m -146.13 6.37 1.0 Allowed 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 115.711 -0.677 . . . . 0.0 109.963 175.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -122.25 58.18 1.05 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.8 -0.636 . . . . 0.0 110.277 -176.126 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 -167.27 143.66 4.33 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 175.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.43 ' O ' ' HB2' ' A' ' 34' ' ' TYR . 2.7 m -66.43 -26.26 67.14 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 112.676 0.621 . . . . 0.0 112.676 -173.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.43 ' HB2' ' O ' ' A' ' 33' ' ' SER . 82.0 m-85 67.81 -76.07 0.06 Allowed 'General case' 0 N--CA 1.468 0.445 0 O-C-N 123.356 0.41 . . . . 0.0 110.283 -174.224 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.64 ' HB3' ' HB2' ' A' ' 38' ' ' GLU . 25.8 t70 69.75 143.93 0.05 Allowed 'General case' 0 C--O 1.234 0.265 0 C-N-CA 124.139 0.976 . . . . 0.0 112.136 -179.289 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.514 ' HA ' HD12 ' A' ' 40' ' ' ILE . 92.2 t80 -69.03 -43.19 75.23 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.507 -0.769 . . . . 0.0 111.417 -177.083 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -81.54 -24.72 36.42 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.717 0.294 . . . . 0.0 110.702 -173.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . 0.64 ' HB2' ' HB3' ' A' ' 35' ' ' ASP . 0.5 OUTLIER -79.68 -57.68 3.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.069 -0.514 . . . . 0.0 112.381 -175.841 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.8 t -111.19 -10.51 14.29 Favored 'General case' 0 CA--C 1.532 0.268 0 N-CA-C 113.255 0.835 . . . . 0.0 113.255 -171.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.514 HD12 ' HA ' ' A' ' 36' ' ' PHE . 59.6 mt -102.61 -61.11 2.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 C-N-CA 120.542 -0.463 . . . . 0.0 111.13 -177.126 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.541 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 42.6 tttm -47.36 -54.69 20.01 Favored Pre-proline 0 CA--C 1.541 0.604 0 N-CA-C 113.611 0.967 . . . . 0.0 113.611 -176.042 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.541 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 52.7 Cg_exo -56.12 -40.03 87.48 Favored 'Trans proline' 0 C--N 1.357 0.98 0 C-N-CA 122.096 1.864 . . . . 0.0 113.205 -175.687 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.31 -41.0 70.47 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.747 0.308 . . . . 0.0 110.638 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 40' ' ' ILE . 98.5 t -60.09 -43.26 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.455 179.054 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.411 ' HG3' ' O ' ' A' ' 41' ' ' LYS . 47.5 mt-10 -54.99 -50.93 67.78 Favored 'General case' 0 C--O 1.235 0.322 0 CA-C-O 120.964 0.412 . . . . 0.0 111.051 178.231 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 65.0 mm-40 -61.89 -51.31 68.67 Favored 'General case' 0 N--CA 1.445 -0.724 0 CA-C-N 115.674 -0.694 . . . . 0.0 111.264 -178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -61.53 -39.01 89.51 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.798 -0.637 . . . . 0.0 111.17 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.527 ' HA ' HD21 ' A' ' 83' ' ' LEU . 25.9 t70 -59.62 -44.4 93.45 Favored 'General case' 0 N--CA 1.466 0.341 0 CA-C-O 120.961 0.41 . . . . 0.0 110.816 178.51 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -63.46 -49.42 73.73 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.839 -0.619 . . . . 0.0 111.056 175.854 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 2.2 mp -57.64 -52.97 63.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.532 -0.758 . . . . 0.0 111.525 -178.187 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -58.71 -35.07 72.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.376 -0.375 . . . . 0.0 111.382 -177.685 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.432 ' HA ' ' HE3' ' A' ' 79' ' ' LYS . . . -68.25 -57.38 6.08 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.142 -179.097 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.15 -31.35 67.59 Favored 'General case' 0 N--CA 1.449 -0.501 0 CA-C-N 116.312 -0.404 . . . . 0.0 111.58 -175.713 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 79.2 t90 -64.14 -42.85 96.64 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.783 0.325 . . . . 0.0 110.26 178.311 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -62.68 -43.88 97.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.447 178.568 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -63.69 -34.06 77.02 Favored 'General case' 0 N--CA 1.447 -0.611 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.976 177.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -69.8 -43.7 65.62 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 121.1 -0.572 . . . . 0.0 111.779 175.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.05 -42.19 98.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.973 0.416 . . . . 0.0 110.459 177.135 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.66 HD23 HD11 ' A' ' 62' ' ' ILE . 48.9 mt -60.05 -35.71 75.72 Favored 'General case' 0 N--CA 1.451 -0.401 0 CA-C-N 115.725 -0.671 . . . . 0.0 111.004 176.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 33.1 tp10 -61.94 -45.38 93.94 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.632 -0.713 . . . . 0.0 110.819 177.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -67.86 -44.66 76.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.56 -178.617 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.66 HD11 HD23 ' A' ' 59' ' ' LEU . 40.6 pt -76.13 -6.69 9.15 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-O 121.097 0.475 . . . . 0.0 110.891 -179.38 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.6 tmtm? -81.77 -40.69 22.27 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 172.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 98.4 t -73.96 -50.54 28.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.668 -0.696 . . . . 0.0 111.09 -179.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.451 ' HB3' ' H ' ' A' ' 66' ' ' ARG . 85.2 mtt180 -114.45 -161.02 0.75 Allowed 'General case' 0 C--N 1.325 -0.486 0 CA-C-O 121.175 0.512 . . . . 0.0 111.375 -177.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.451 ' H ' ' HB3' ' A' ' 65' ' ' ARG . 10.1 mpt_? -80.96 160.27 66.55 Favored Pre-proline 0 C--N 1.325 -0.458 0 CA-C-N 115.496 -0.775 . . . . 0.0 109.153 174.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_exo -49.16 -52.78 8.1 Favored 'Trans proline' 0 C--N 1.348 0.514 0 C-N-CA 122.724 2.283 . . . . 0.0 112.584 178.553 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.482 ' HG2' ' CD ' ' A' ' 116' ' ' GLU . 23.4 tptm 64.55 107.03 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.462 0 O-C-N 123.762 0.664 . . . . 0.0 111.58 177.215 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.53 ' HB2' ' HB1' ' A' ' 112' ' ' ALA . 34.6 m-85 68.89 -68.42 0.18 Allowed 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.627 -177.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.637 HG21 HG23 ' A' ' 109' ' ' THR . 13.5 p -92.36 158.87 2.84 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.126 -0.943 . . . . 0.0 110.367 -174.131 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 64.4 m80 -122.25 163.78 19.03 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.843 -0.428 . . . . 0.0 109.843 176.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -62.74 -34.65 77.63 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.775 0.322 . . . . 0.0 110.946 -176.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -59.23 -38.38 79.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.788 -0.642 . . . . 0.0 110.259 178.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.401 ' O ' HG23 ' A' ' 78' ' ' VAL . 15.2 mm100 -71.6 -45.52 61.9 Favored 'General case' 0 N--CA 1.452 -0.367 0 CA-C-N 115.386 -0.824 . . . . 0.0 110.805 178.391 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 70.8 mt -59.13 -42.73 87.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.121 -178.566 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -68.72 -32.95 73.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.935 0.398 . . . . 0.0 110.875 -179.366 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -69.15 -46.51 67.4 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.18 176.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.438 HG13 HG22 ' A' ' 106' ' ' VAL . 70.4 t -60.98 -35.39 64.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.066 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.432 ' HE3' ' HA ' ' A' ' 52' ' ' ALA . 81.8 tttt -55.47 -46.01 76.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.015 0.436 . . . . 0.0 110.813 178.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -77.47 -42.89 34.19 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.596 178.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.523 ' HB3' HG23 ' A' ' 102' ' ' ILE . 94.6 m-20 -65.88 -26.95 67.87 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.127 -0.488 . . . . 0.0 112.0 -175.48 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 65.4 t80 -65.49 -47.81 74.78 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.177 0.513 . . . . 0.0 109.723 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.527 HD21 ' HA ' ' A' ' 48' ' ' ASP . 98.3 mt -69.08 -37.12 78.28 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.691 -0.686 . . . . 0.0 110.104 178.246 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.551 ' HG3' ' NE2' ' A' ' 88' ' ' GLN . 15.7 tp10 -57.86 -47.92 81.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.344 174.84 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.1 tt -55.44 -50.46 69.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 -179.036 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 61.8 t -62.53 -46.07 97.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.945 -178.523 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 42.5 tp -69.0 -44.47 72.74 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.507 -177.163 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.57 ' HG3' HD13 ' A' ' 94' ' ' ILE . 3.1 pt20 -64.7 -26.76 68.51 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.541 -0.3 . . . . 0.0 111.0 -175.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 17.0 t -65.54 -34.16 77.61 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.329 179.008 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 55.9 m-85 -92.77 -37.42 12.35 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.994 -178.01 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.547 HG22 ' HA ' ' A' ' 88' ' ' GLN . 34.4 m -79.02 -19.3 12.94 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.279 0 C-N-CA 120.567 -0.453 . . . . 0.0 111.069 -179.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 39.6 m80 68.33 27.81 6.42 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 113.016 0.746 . . . . 0.0 113.016 171.145 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -89.44 39.87 0.96 Allowed 'General case' 0 N--CA 1.466 0.335 0 C-N-CA 120.203 -0.599 . . . . 0.0 110.984 177.394 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.57 HD13 ' HG3' ' A' ' 88' ' ' GLN . 24.4 pt -142.97 177.03 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.374 -0.83 . . . . 0.0 109.988 -179.838 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 81.2 m-70 -134.91 -72.99 0.47 Allowed 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.643 -0.253 . . . . 0.0 110.949 174.171 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -149.55 -57.33 0.19 Allowed 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.562 -0.29 . . . . 0.0 111.279 -177.426 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.587 ' H ' ' HD2' ' A' ' 97' ' ' LYS . 8.5 mptt -51.83 -54.1 32.82 Favored 'General case' 0 N--CA 1.466 0.349 0 CA-C-N 115.997 -0.547 . . . . 0.0 111.896 -173.501 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 72.1 mtp180 -63.01 -49.83 73.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.0 -177.211 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -58.48 -43.73 89.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.028 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.19 -44.76 83.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.269 -178.445 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -65.31 -45.02 86.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.823 -178.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.523 HG23 ' HB3' ' A' ' 81' ' ' ASN . 74.4 mt -60.43 -50.95 78.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.418 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.715 178.536 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 54.0 m -58.02 -44.06 87.08 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.111 0.481 . . . . 0.0 110.501 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 -61.94 -51.71 67.0 Favored 'General case' 0 N--CA 1.449 -0.511 0 CA-C-N 115.779 -0.646 . . . . 0.0 111.187 -179.668 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 49.0 m -60.0 -39.43 85.76 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.056 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.494 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 74.9 t -66.99 -52.02 48.36 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.183 0 CA-C-O 120.637 0.256 . . . . 0.0 110.71 178.435 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.462 HD13 HD12 ' A' ' 110' ' ' LEU . 4.2 mm? -63.18 -38.67 92.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.482 -0.327 . . . . 0.0 111.292 -178.594 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.3 t80 -62.38 -40.63 97.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 110.201 176.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.637 HG23 HG21 ' A' ' 70' ' ' VAL . 93.9 m -65.68 -42.48 91.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.526 176.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 97.2 mt -59.63 -44.47 93.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.42 176.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 40.8 m170 -58.63 -40.28 82.93 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.836 178.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.53 ' HB1' ' HB2' ' A' ' 69' ' ' TYR . . . -64.77 -46.35 82.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.833 -0.621 . . . . 0.0 111.234 -177.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.502 ' O ' HG13 ' A' ' 117' ' ' ILE . 58.4 t -72.92 -39.94 59.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 121.188 0.518 . . . . 0.0 110.206 -178.129 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.504 ' HE3' HD11 ' A' ' 7' ' ' LEU . 1.3 tmtp? -60.9 -37.99 84.14 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.47 -0.786 . . . . 0.0 110.773 -178.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -60.84 -47.95 84.02 Favored 'General case' 0 CA--C 1.519 -0.245 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.785 -178.522 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.482 ' CD ' ' HG2' ' A' ' 68' ' ' LYS . 26.6 mm-40 -64.33 -38.19 90.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.48 -0.327 . . . . 0.0 111.529 -179.247 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.502 HG13 ' O ' ' A' ' 113' ' ' VAL . 70.9 mt -59.55 -45.52 93.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.225 0 CA-C-O 121.279 0.562 . . . . 0.0 110.236 178.367 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -82.18 -6.64 59.34 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.807 -0.633 . . . . 0.0 111.107 -179.622 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 32.5 ttm-85 -93.28 -20.95 19.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.044 -0.525 . . . . 0.0 110.663 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -70.25 -44.13 69.14 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 116.534 -0.303 . . . . 0.0 110.864 176.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -96.72 176.22 6.08 Favored 'General case' 0 C--N 1.319 -0.729 0 N-CA-C 108.876 -0.787 . . . . 0.0 108.876 175.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 15.4 m -107.5 -28.05 10.03 Favored 'General case' 0 C--N 1.314 -0.956 0 CA-C-O 120.728 0.299 . . . . 0.0 110.596 -178.318 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 38.5 ttt180 . . . . . 0 C--N 1.331 -0.215 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.817 -174.578 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 ptt? . . . . . 0 N--CA 1.482 1.146 0 CA-C-O 121.246 0.546 . . . . 0.0 111.533 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -102.41 132.73 48.23 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.972 -0.558 . . . . 0.0 109.751 174.153 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.5 m -77.38 83.04 3.83 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.399 0.618 . . . . 0.0 110.392 179.696 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 72.9 mt-30 -92.81 89.1 6.47 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.699 -177.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 15.0 p -94.15 -78.42 0.44 Allowed 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.606 176.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 49.7 tp -66.73 -23.49 66.11 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.509 179.25 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.9 tp -65.33 -51.23 62.0 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.141 179.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 26.6 tt0 -57.82 -42.53 84.49 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.995 0.426 . . . . 0.0 110.48 178.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 82.5 mtp -58.15 -51.22 70.63 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.758 -0.656 . . . . 0.0 110.774 179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.543 ' O ' HG13 ' A' ' 14' ' ' ILE . 19.5 m -63.49 -49.59 73.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.584 179.263 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -55.15 -43.42 74.19 Favored 'General case' 0 C--O 1.234 0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.3 179.533 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.508 ' O ' HG23 ' A' ' 16' ' ' VAL . 57.7 tp60 -62.26 -46.8 87.19 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.497 177.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 92.6 mtp -64.85 -34.82 79.29 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.346 -179.087 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.625 HG12 ' HB3' ' A' ' 110' ' ' LEU . 67.2 mt -63.15 -43.65 98.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.829 0.347 . . . . 0.0 110.199 176.465 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -64.4 -39.22 93.43 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.601 178.58 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.508 HG23 ' O ' ' A' ' 12' ' ' GLN . 95.9 t -61.69 -40.79 88.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.593 176.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.7 -45.23 87.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.36 -0.382 . . . . 0.0 110.99 178.644 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -56.16 -48.99 75.25 Favored 'General case' 0 C--O 1.233 0.198 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.66 175.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -66.86 -35.28 79.67 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.296 -179.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -61.21 -48.91 83.15 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.914 -0.66 . . . . 0.0 112.103 177.481 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.598 ' HB2' HG21 ' A' ' 103' ' ' THR . . . -64.25 -42.4 96.52 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.965 0.412 . . . . 0.0 110.406 177.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 4.9 t70 -56.78 -43.82 81.24 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.464 -0.789 . . . . 0.0 110.875 177.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.439 ' HD2' ' HB3' ' A' ' 29' ' ' ASN . 0.3 OUTLIER -68.48 -40.5 80.96 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 115.229 -0.896 . . . . 0.0 111.374 -176.354 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.438 ' CE2' ' HA ' ' A' ' 96' ' ' LYS . 55.2 t80 -75.36 -37.96 60.34 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.626 -179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -66.41 -36.19 82.2 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.204 -178.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 -66.15 -43.69 86.27 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.357 0.598 . . . . 0.0 109.61 172.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 124.82 -66.69 0.53 Allowed Glycine 0 N--CA 1.444 -0.8 0 CA-C-N 115.436 -0.802 . . . . 0.0 111.192 -178.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -159.31 139.49 12.02 Favored 'General case' 0 C--N 1.324 -0.538 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 178.259 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.439 ' HB3' ' HD2' ' A' ' 23' ' ' ARG . 23.8 t-20 -128.98 67.76 1.41 Allowed 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.72 0.771 . . . . 0.0 109.419 176.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 49.2 m -159.37 98.15 1.39 Allowed 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 114.849 -1.069 . . . . 0.0 108.681 177.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . 0.405 ' O ' ' HB2' ' A' ' 32' ' ' HIS . 63.3 t30 -87.75 70.57 9.63 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.225 0.536 . . . . 0.0 110.685 -175.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.405 ' HB2' ' O ' ' A' ' 31' ' ' ASN . 43.3 t-80 177.45 136.61 0.07 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 114.951 -1.022 . . . . 0.0 109.077 177.433 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 49.0 m -58.93 137.77 57.71 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-O 120.819 0.342 . . . . 0.0 110.314 175.414 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 22.9 p90 -130.72 148.2 52.47 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.559 -177.72 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -109.13 -68.08 0.94 Allowed 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.099 -0.5 . . . . 0.0 109.981 178.417 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -168.37 174.57 6.89 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 -178.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 4.8 t80 70.36 -163.52 0.16 Allowed 'General case' 0 N--CA 1.453 -0.322 0 O-C-N 123.54 0.525 . . . . 0.0 109.952 177.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 44.2 tt0 64.94 -78.86 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.59 0 C-N-CA 123.912 0.885 . . . . 0.0 110.683 -174.722 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 10.1 t -115.24 -23.69 8.82 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.826 0.346 . . . . 0.0 110.156 177.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.512 ' O ' ' HB2' ' A' ' 41' ' ' LYS . 4.5 mp -83.42 71.86 0.75 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.209 0 CA-C-O 121.041 0.448 . . . . 0.0 110.159 -179.503 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.512 ' HB2' ' O ' ' A' ' 40' ' ' ILE . 25.1 ttpp 170.59 -60.79 0.0 OUTLIER Pre-proline 0 C--N 1.33 -0.245 0 CA-C-N 114.625 -1.17 . . . . 0.0 109.282 172.523 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.471 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 21.5 Cg_endo -59.93 -46.09 21.17 Favored 'Trans proline' 0 C--N 1.358 1.056 0 C-N-CA 122.015 1.81 . . . . 0.0 112.117 -178.259 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -62.38 -35.46 79.24 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.405 178.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 45.8 t -66.96 -45.93 86.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.792 177.236 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -62.59 -42.85 99.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.016 -0.538 . . . . 0.0 111.323 178.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 23.0 mm-40 -56.92 -55.83 29.5 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-O 121.092 0.473 . . . . 0.0 110.916 175.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.446 ' HB3' ' HE2' ' A' ' 82' ' ' PHE . 92.3 m-20 -67.36 -24.83 65.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.74 -0.663 . . . . 0.0 111.072 -177.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.555 ' HA ' HD11 ' A' ' 83' ' ' LEU . 19.3 t70 -64.67 -49.68 70.02 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 174.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -63.79 -41.33 97.95 Favored 'General case' 0 C--O 1.233 0.199 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.042 176.142 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 7.6 tp -59.13 -53.2 61.06 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.338 -0.847 . . . . 0.0 110.491 -179.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.13 -38.75 82.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.352 -177.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.24 99.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.897 0.38 . . . . 0.0 110.932 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.65 -34.33 62.7 Favored 'General case' 0 N--CA 1.449 -0.51 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.861 178.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 83.6 t90 -65.28 -44.34 88.32 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 176.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -57.94 -44.92 87.26 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.457 177.24 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -60.93 -39.56 89.91 Favored 'General case' 0 N--CA 1.433 -1.276 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.767 178.048 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.427 ' O ' ' HB3' ' A' ' 60' ' ' GLU . . . -67.84 -43.23 84.25 Favored Glycine 0 N--CA 1.449 -0.479 0 CA-C-N 115.763 -0.653 . . . . 0.0 112.105 177.507 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.476 ' HB1' HD13 ' A' ' 75' ' ' ILE . . . -65.0 -45.54 85.16 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 120.818 0.342 . . . . 0.0 110.657 177.875 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.558 HD23 HD11 ' A' ' 62' ' ' ILE . 53.5 mt -59.32 -33.61 71.33 Favored 'General case' 0 N--CA 1.452 -0.371 0 CA-C-O 121.178 0.513 . . . . 0.0 110.756 177.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.479 ' O ' HG23 ' A' ' 64' ' ' VAL . 31.7 tp10 -63.19 -53.96 45.07 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.539 -0.755 . . . . 0.0 110.252 175.106 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -62.68 -41.13 98.93 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.977 -0.556 . . . . 0.0 112.045 -176.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.614 HG22 ' HG2' ' A' ' 67' ' ' PRO . 42.4 pt -68.11 -29.16 43.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 112.372 0.508 . . . . 0.0 112.372 -174.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.479 ' HE3' ' HA ' ' A' ' 60' ' ' GLU . 21.7 pttp -82.13 -26.28 33.65 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 119.651 -0.819 . . . . 0.0 110.573 178.708 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.479 HG23 ' O ' ' A' ' 60' ' ' GLU . 61.8 t -80.69 -47.4 20.61 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.019 178.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 10.5 ptp180 -137.56 167.0 22.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.881 0.372 . . . . 0.0 110.506 178.51 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.508 ' HA ' ' HD3' ' A' ' 67' ' ' PRO . 98.4 mtt180 -92.14 115.48 64.76 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.09 176.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.614 ' HG2' HG22 ' A' ' 62' ' ' ILE . 3.4 Cg_exo -75.02 7.63 2.79 Favored 'Trans proline' 0 C--N 1.345 0.367 0 C-N-CA 123.407 2.738 . . . . 0.0 112.71 -176.421 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 44.6 mttp 69.87 -70.46 0.14 Allowed 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 115.627 -0.715 . . . . 0.0 112.448 172.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . 0.512 ' HB2' ' HB1' ' A' ' 112' ' ' ALA . 2.8 m-85 -77.83 -56.68 4.3 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.067 0.46 . . . . 0.0 111.653 -171.451 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.449 HG21 HG23 ' A' ' 109' ' ' THR . 12.7 p -81.27 147.46 6.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.704 -171.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 59.6 m80 -112.05 159.57 18.35 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 175.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 25.0 pttm -67.44 -29.04 68.41 Favored 'General case' 0 C--N 1.33 -0.259 0 C-N-CA 120.814 -0.354 . . . . 0.0 111.566 -173.046 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -64.4 -38.6 91.58 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.11 0.481 . . . . 0.0 110.359 176.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.418 ' O ' HG23 ' A' ' 78' ' ' VAL . 15.5 mm-40 -62.36 -43.58 98.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.787 -0.642 . . . . 0.0 110.575 179.286 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.476 HD13 ' HB1' ' A' ' 58' ' ' ALA . 63.0 mt -61.86 -41.35 90.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.878 -0.601 . . . . 0.0 110.801 -179.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.411 ' HA ' ' OE1' ' A' ' 76' ' ' GLU . 5.9 mm-40 -68.54 -37.01 79.6 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.14 -179.613 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.81 -45.87 73.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.592 177.558 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.422 HG13 HG13 ' A' ' 106' ' ' VAL . 73.7 t -61.6 -35.58 68.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.209 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -52.64 -53.43 47.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.013 0.435 . . . . 0.0 111.34 178.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -75.13 -37.77 61.29 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.581 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -64.24 -31.71 73.02 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.14 179.568 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.446 ' HE2' ' HB3' ' A' ' 47' ' ' ASN . 79.8 t80 -64.85 -54.35 32.4 Favored 'General case' 0 C--N 1.328 -0.359 0 N-CA-C 110.2 -0.296 . . . . 0.0 110.2 179.243 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.555 HD11 ' HA ' ' A' ' 48' ' ' ASP . 4.5 mm? -58.34 -42.5 86.97 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.594 177.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -56.9 -51.44 69.08 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.12 177.225 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.506 ' HA ' HE21 ' A' ' 88' ' ' GLN . 7.0 tt -57.06 -48.73 77.83 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.585 -179.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 82' ' ' PHE . 76.3 t -57.97 -45.65 87.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.264 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 52.1 tp -69.09 -44.98 71.38 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 121.002 0.43 . . . . 0.0 111.415 -178.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.506 HE21 ' HA ' ' A' ' 85' ' ' LEU . 24.9 pt20 -83.08 2.59 34.45 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 111.99 0.367 . . . . 0.0 111.99 -173.276 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 92.6 p -67.81 -27.99 67.2 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 175.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 95.5 m-85 -90.4 -46.42 8.37 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.392 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.473 HG22 ' HA ' ' A' ' 88' ' ' GLN . 30.4 m -91.06 -33.22 5.64 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 N-CA-C 113.034 0.753 . . . . 0.0 113.034 -171.238 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 13.8 m170 59.05 88.4 0.07 Allowed 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 122.793 0.437 . . . . 0.0 111.012 -177.846 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 27.9 p80 -112.8 8.05 18.67 Favored 'General case' 0 C--N 1.331 -0.234 0 C-N-CA 120.428 -0.509 . . . . 0.0 111.284 -178.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.54 HD13 ' HB2' ' A' ' 99' ' ' PHE . 2.0 pp -115.69 -177.53 1.02 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.713 0 CA-C-N 116.607 -0.269 . . . . 0.0 110.796 179.678 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 97.5 m-70 -99.43 145.53 27.32 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 116.27 -0.423 . . . . 0.0 109.892 175.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . 0.438 ' HA ' ' CE2' ' A' ' 24' ' ' TYR . 22.2 ptmt -54.99 -33.13 62.3 Favored 'General case' 0 N--CA 1.465 0.308 0 N-CA-C 112.437 0.532 . . . . 0.0 112.437 -173.262 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.401 ' HD3' ' HA ' ' A' ' 97' ' ' LYS . 69.1 mmtt -67.96 -37.26 81.35 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.665 0.269 . . . . 0.0 111.453 -179.304 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.561 ' NE ' ' HA ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -78.91 -31.76 45.44 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.525 -175.876 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.54 ' HB2' HD13 ' A' ' 94' ' ' ILE . 37.8 t80 -62.43 -34.04 75.98 Favored 'General case' 0 C--O 1.235 0.306 0 CA-C-O 121.096 0.474 . . . . 0.0 110.117 179.517 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.48 -51.05 71.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 115.582 -0.736 . . . . 0.0 109.246 176.799 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 -59.76 -42.32 92.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.164 179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.472 HG13 ' O ' ' A' ' 98' ' ' ARG . 79.4 mt -57.82 -51.76 66.32 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.16 177.423 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.598 HG21 ' HB2' ' A' ' 21' ' ' ALA . 29.3 m -58.28 -47.57 83.2 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.969 -0.56 . . . . 0.0 110.687 179.156 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 108' ' ' TYR . 8.3 mm-40 -60.03 -41.54 92.43 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.944 -0.571 . . . . 0.0 111.881 -179.621 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 25.3 m -68.13 -40.54 82.43 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-O 120.813 0.339 . . . . 0.0 110.951 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 102' ' ' ILE . 95.9 t -66.69 -50.33 66.9 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.238 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.291 177.617 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 55.8 mt -59.17 -45.24 91.54 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.465 -179.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.4 ' HB2' ' O ' ' A' ' 104' ' ' GLU . 8.4 t80 -56.15 -42.18 76.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 121.15 0.5 . . . . 0.0 110.295 -179.246 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.449 HG23 HG21 ' A' ' 70' ' ' VAL . 86.6 m -70.07 -46.08 65.69 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.738 -0.665 . . . . 0.0 110.969 178.737 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.625 ' HB3' HG12 ' A' ' 14' ' ' ILE . 95.4 mt -60.55 -41.95 95.56 Favored 'General case' 0 C--O 1.233 0.202 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.196 -179.302 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -63.65 -36.67 84.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.101 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . 0.512 ' HB1' ' HB2' ' A' ' 69' ' ' TYR . . . -67.09 -47.68 70.5 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.398 -178.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 81.9 t -62.9 -43.96 99.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.022 0.439 . . . . 0.0 110.099 179.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.432 ' HD2' ' C ' ' A' ' 114' ' ' LYS . 0.6 OUTLIER -54.31 -45.11 72.5 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 115.439 -0.8 . . . . 0.0 110.189 176.197 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -69.0 -42.05 76.97 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.554 -172.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 22.8 tp10 -61.91 -41.21 97.66 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 120.867 0.365 . . . . 0.0 110.742 178.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . . . . . . . . . 75.1 mt -62.3 -45.14 99.46 Favored 'Isoleucine or valine' 0 C--O 1.235 0.329 0 CA-C-O 120.988 0.423 . . . . 0.0 110.65 178.114 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -72.42 -20.43 61.42 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.684 178.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 8.4 tpt180 -78.08 -26.95 48.4 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 115.698 -0.683 . . . . 0.0 109.905 178.287 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -82.92 -47.51 11.72 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.222 -0.444 . . . . 0.0 109.843 174.349 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 35.4 t70 63.07 28.64 16.19 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-O 121.627 0.727 . . . . 0.0 110.771 177.358 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 14.5 m -125.63 -81.17 0.62 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 121.886 -0.509 . . . . 0.0 111.429 -177.446 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.464 ' HA ' ' NE ' ' A' ' 123' ' ' ARG . 5.7 mmp_? . . . . . 0 N--CA 1.465 0.298 0 CA-C-O 121.262 0.553 . . . . 0.0 110.978 -173.454 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.9 ptp . . . . . 0 N--CA 1.48 1.07 0 CA-C-O 120.584 0.231 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 87.9 mt -101.63 -45.23 5.33 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.751 0.31 . . . . 0.0 110.655 178.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.8 p 50.21 74.61 0.21 Allowed 'General case' 0 N--CA 1.464 0.25 0 C-N-CA 123.585 0.754 . . . . 0.0 111.896 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -71.33 -60.74 2.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.914 -0.585 . . . . 0.0 110.478 179.483 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.4 m -157.2 -71.19 0.1 Allowed 'General case' 0 CA--C 1.535 0.389 0 CA-C-O 120.868 0.366 . . . . 0.0 111.21 177.572 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 39.3 tp -64.54 -21.36 66.67 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.529 -174.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.423 ' HA ' HD22 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -67.74 -42.82 81.25 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 110.003 -0.369 . . . . 0.0 110.003 -179.285 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -60.74 -43.16 98.28 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.424 179.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . . . . . . . . . 68.0 mtp -56.53 -43.57 79.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.603 -0.726 . . . . 0.0 110.883 178.101 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.474 ' O ' HG13 ' A' ' 14' ' ' ILE . 22.8 m -71.01 -50.86 29.54 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.807 -0.633 . . . . 0.0 110.804 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -55.52 -36.4 66.69 Favored 'General case' 0 C--O 1.233 0.234 0 N-CA-C 112.192 0.442 . . . . 0.0 112.192 178.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.477 ' O ' HG23 ' A' ' 16' ' ' VAL . 49.9 tt0 -61.31 -51.34 69.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.776 0.322 . . . . 0.0 110.173 175.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . . . . . . . . . 48.8 ttm -60.7 -38.99 86.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.825 -179.562 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.58 HG12 ' HB3' ' A' ' 110' ' ' LEU . 67.1 mt -62.91 -49.32 84.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.684 179.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . 0.443 ' HG2' ' HE2' ' A' ' 19' ' ' LYS . 33.8 tt0 -65.52 -39.42 91.8 Favored 'General case' 0 N--CA 1.453 -0.282 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.811 -177.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.477 HG23 ' O ' ' A' ' 12' ' ' GLN . 81.2 t -62.22 -42.45 95.32 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 120.446 0.165 . . . . 0.0 110.802 178.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.64 -46.07 89.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.905 0.383 . . . . 0.0 110.627 177.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -60.65 -46.39 90.49 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.015 -0.539 . . . . 0.0 111.243 177.675 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HE2' ' HG2' ' A' ' 15' ' ' GLU . 51.7 mtmt -68.64 -30.63 69.37 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.196 179.639 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -69.05 -45.04 63.99 Favored Glycine 0 N--CA 1.449 -0.453 0 C-N-CA 121.087 -0.577 . . . . 0.0 111.786 177.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.578 ' HB2' HG21 ' A' ' 103' ' ' THR . . . -68.22 -38.44 81.89 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-O 120.87 0.367 . . . . 0.0 110.326 176.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -59.16 -41.14 87.68 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.85 -0.613 . . . . 0.0 110.367 175.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 53.3 ttp180 -59.47 -46.89 87.48 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.615 176.544 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -64.71 -36.74 85.26 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.471 178.157 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -64.36 -53.33 50.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.825 -0.625 . . . . 0.0 109.397 -179.611 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.1 tm-20 -61.53 -47.14 86.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.097 178.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.5 -57.22 0.76 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 121.008 -0.615 . . . . 0.0 112.766 175.016 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 58.38 82.34 0.14 Allowed 'General case' 0 C--O 1.234 0.245 0 CA-C-O 121.693 0.758 . . . . 0.0 110.766 -176.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 23.1 p-10 -81.04 125.22 29.92 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.443 -0.798 . . . . 0.0 110.037 179.421 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 21.9 t -171.23 -146.12 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.58 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 -173.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -57.05 -31.85 65.61 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.37 176.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 66.14 18.28 10.94 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.119 173.212 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.8 p -108.09 154.38 21.77 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.614 -176.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -144.1 -48.05 0.27 Allowed 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 109.082 -0.71 . . . . 0.0 109.082 178.319 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 58.33 31.34 20.76 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 114.673 -1.149 . . . . 0.0 113.729 166.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.486 ' HA ' HD12 ' A' ' 40' ' ' ILE . 98.1 m-85 69.18 11.05 8.12 Favored 'General case' 0 N--CA 1.467 0.406 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 164.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 27.2 t80 -152.91 87.01 1.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 119.403 -0.919 . . . . 0.0 112.443 177.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 39.3 tt0 -177.94 -76.08 0.01 OUTLIER 'General case' 0 N--CA 1.448 -0.541 0 CA-C-N 114.8 -1.091 . . . . 0.0 108.794 172.438 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.6 p -92.81 -19.76 21.41 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.16 173.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.486 HD12 ' HA ' ' A' ' 36' ' ' PHE . 16.4 mt -84.96 50.64 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.404 0 CA-C-O 121.583 0.706 . . . . 0.0 110.694 -178.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.615 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 29.3 tptp -144.92 -56.28 0.02 OUTLIER Pre-proline 0 CA--C 1.539 0.522 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.767 173.589 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.615 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 7.9 Cg_exo -72.24 -37.87 4.18 Favored 'Trans proline' 0 C--N 1.359 1.125 0 C-N-CA 121.553 1.502 . . . . 0.0 111.948 -178.573 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.66 -43.14 66.59 Favored 'General case' 0 N--CA 1.455 -0.189 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.394 -176.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 56.1 t -57.84 -50.67 76.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.036 -176.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 71.0 mt-10 -64.42 -45.53 87.17 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.827 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.441 ' O ' ' HB2' ' A' ' 50' ' ' LEU . 6.1 tm-20 -54.46 -59.03 5.24 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 115.397 -0.819 . . . . 0.0 110.364 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 10.5 m120 -63.64 -36.42 83.78 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.387 -0.824 . . . . 0.0 111.724 -175.606 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -65.61 -49.88 67.11 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 120.785 0.326 . . . . 0.0 110.647 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 -62.15 -41.64 98.47 Favored 'General case' 0 C--O 1.237 0.415 0 CA-C-O 121.296 0.569 . . . . 0.0 110.321 176.411 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . 0.441 ' HB2' ' O ' ' A' ' 46' ' ' GLU . 6.0 tp -59.62 -53.59 56.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.049 -0.978 . . . . 0.0 110.854 -178.837 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.498 ' HB1' ' HG2' ' A' ' 79' ' ' LYS . . . -60.62 -38.31 84.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.8 -0.636 . . . . 0.0 111.465 -177.039 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -60.76 -53.73 53.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.851 0.358 . . . . 0.0 110.643 178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -66.65 -33.52 75.83 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.117 -178.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 73.0 t90 -66.86 -45.78 77.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.221 178.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -60.61 -46.99 88.21 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.439 178.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -60.4 -36.1 77.31 Favored 'General case' 0 N--CA 1.447 -0.583 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.269 178.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -71.72 -47.74 31.9 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 121.094 -0.574 . . . . 0.0 112.33 178.45 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -62.55 -47.17 85.04 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 120.813 0.34 . . . . 0.0 111.043 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.515 HD23 HD11 ' A' ' 62' ' ' ILE . 51.6 mt -61.37 -36.23 79.65 Favored 'General case' 0 N--CA 1.452 -0.339 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.202 179.299 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.597 ' O ' ' HG3' ' A' ' 63' ' ' LYS . 32.4 tp10 -56.93 -51.57 68.62 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.704 -0.68 . . . . 0.0 110.874 176.764 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.418 HD11 ' HA ' ' A' ' 123' ' ' ARG . 4.4 mm? -66.94 -39.93 87.45 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 112.177 0.436 . . . . 0.0 112.177 -175.676 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.628 HG22 ' HB3' ' A' ' 67' ' ' PRO . 40.3 pt -73.16 -22.92 19.69 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.248 0 N-CA-C 112.043 0.386 . . . . 0.0 112.043 -175.343 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.597 ' HG3' ' O ' ' A' ' 60' ' ' GLU . 0.0 OUTLIER -83.16 -23.31 32.98 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.36 -0.536 . . . . 0.0 110.17 174.847 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.478 HG23 ' O ' ' A' ' 60' ' ' GLU . 88.1 t -78.81 -60.39 2.3 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.486 -0.325 . . . . 0.0 110.707 175.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 73.8 mtt-85 -109.71 168.82 9.13 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 110.201 -0.296 . . . . 0.0 110.201 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 74.1 mtt180 -78.54 118.12 70.46 Favored Pre-proline 0 C--N 1.324 -0.528 0 N-CA-C 109.839 -0.43 . . . . 0.0 109.839 175.02 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.628 ' HB3' HG22 ' A' ' 62' ' ' ILE . 60.6 Cg_endo -72.97 158.22 50.07 Favored 'Trans proline' 0 C--O 1.234 0.319 0 C-N-CA 122.875 2.383 . . . . 0.0 112.577 -177.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . 0.497 ' HD2' ' N ' ' A' ' 68' ' ' LYS . 5.5 mptt -111.34 119.82 40.14 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.324 179.506 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 54.9 m-85 72.39 -49.05 0.69 Allowed 'General case' 0 N--CA 1.47 0.563 0 C-N-CA 123.637 0.775 . . . . 0.0 111.977 177.538 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.521 HG21 HG22 ' A' ' 113' ' ' VAL . 7.6 p -69.92 141.94 16.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.21 0.528 . . . . 0.0 111.089 -178.476 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 46.2 m80 -127.19 162.43 26.18 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.101 -0.704 . . . . 0.0 109.101 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.728 ' O ' ' HG2' ' A' ' 76' ' ' GLU . 0.0 OUTLIER -64.48 -39.07 93.11 Favored 'General case' 0 C--O 1.224 -0.273 0 C-N-CA 120.583 -0.447 . . . . 0.0 111.099 -176.57 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -56.26 -34.38 66.34 Favored 'General case' 0 N--CA 1.464 0.272 0 CA-C-O 121.28 0.562 . . . . 0.0 110.329 -179.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . 0.442 ' O ' HG23 ' A' ' 78' ' ' VAL . 73.8 mm-40 -68.43 -47.86 66.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.236 -0.893 . . . . 0.0 110.397 -179.082 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 66.1 mt -63.33 -39.46 85.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 115.654 -0.703 . . . . 0.0 111.265 -177.668 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . 0.728 ' HG2' ' O ' ' A' ' 72' ' ' LYS . 61.5 mm-40 -60.87 -42.48 97.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.455 -177.571 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -74.18 -46.96 38.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.845 -0.616 . . . . 0.0 111.398 -177.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.533 HG13 HG13 ' A' ' 106' ' ' VAL . 55.2 t -54.46 -37.87 39.34 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.256 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.769 -176.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.498 ' HG2' ' HB1' ' A' ' 51' ' ' ALA . 13.7 tmtt? -56.33 -54.15 48.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.471 -0.331 . . . . 0.0 111.426 -179.076 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . 0.424 ' N ' ' HD3' ' A' ' 79' ' ' LYS . 4.3 m-20 -78.02 -35.3 50.01 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 116.622 -0.263 . . . . 0.0 111.303 -176.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . 0.449 ' HB3' HG23 ' A' ' 102' ' ' ILE . 6.4 m-20 -56.05 -43.09 77.56 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.475 175.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -59.54 -46.3 89.27 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.87 -48.14 72.54 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.221 -177.03 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -66.51 -32.53 73.94 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.756 -179.33 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.589 HD12 HG22 ' A' ' 102' ' ' ILE . 5.7 tt -58.49 -51.47 69.75 Favored 'General case' 0 C--O 1.234 0.246 0 N-CA-C 109.764 -0.458 . . . . 0.0 109.764 177.021 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 65.6 t -59.31 -45.23 93.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.405 179.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.3 tp -59.94 -53.9 52.46 Favored 'General case' 0 C--O 1.235 0.339 0 CA-C-N 115.883 -0.599 . . . . 0.0 111.441 -179.353 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . 0.455 HE21 ' HB3' ' A' ' 88' ' ' GLN . 2.7 pt20 -67.25 -19.44 65.52 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.523 -175.351 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 71.4 m -64.66 -40.59 95.7 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 0.0 110.713 176.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -84.41 -48.32 9.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.314 -176.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . 0.43 HG23 ' H ' ' A' ' 93' ' ' HIS . 33.9 m -75.46 -17.53 15.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.691 -0.231 . . . . 0.0 111.534 -176.623 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . . . . . . . . . 36.3 m80 62.72 33.51 15.43 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-O 121.259 0.552 . . . . 0.0 110.849 178.204 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . 0.43 ' H ' HG23 ' A' ' 91' ' ' VAL . 79.0 t60 -92.81 46.43 1.23 Allowed 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.806 0.813 . . . . 0.0 109.695 -178.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.755 HG12 ' HB2' ' A' ' 99' ' ' PHE . 10.1 tp -143.5 152.24 16.55 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.747 0 CA-C-N 115.456 -0.793 . . . . 0.0 109.263 -177.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -84.92 -93.4 0.08 Allowed 'General case' 0 C--N 1.327 -0.392 0 C-N-CA 120.516 -0.474 . . . . 0.0 110.908 -178.573 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -143.99 -80.64 0.19 Allowed 'General case' 0 N--CA 1.463 0.206 0 CA-C-O 120.828 0.347 . . . . 0.0 111.702 -177.597 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.428 ' HE3' ' HB2' ' A' ' 97' ' ' LYS . 37.9 ttmt -61.65 -39.13 90.24 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.106 -0.497 . . . . 0.0 112.28 -171.275 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.488 ' O ' HG13 ' A' ' 102' ' ' ILE . 50.8 mtm180 -65.1 -26.86 68.4 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.705 -0.398 . . . . 0.0 111.022 -177.518 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . 0.755 ' HB2' HG12 ' A' ' 94' ' ' ILE . 76.2 t80 -68.9 -49.7 55.9 Favored 'General case' 0 C--O 1.235 0.326 0 CA-C-O 121.295 0.569 . . . . 0.0 109.609 176.402 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' A' ' 104' ' ' GLU . 63.5 tttp -62.28 -44.74 95.84 Favored 'General case' 0 C--O 1.221 -0.426 0 CA-C-N 115.331 -0.85 . . . . 0.0 110.219 179.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -56.82 -43.5 81.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.901 -0.591 . . . . 0.0 111.486 179.273 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.589 HG22 HD12 ' A' ' 85' ' ' LEU . 71.3 mt -60.43 -42.77 92.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.199 175.272 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . 0.578 HG21 ' HB2' ' A' ' 21' ' ' ALA . 23.1 m -62.04 -47.42 84.78 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.232 0.539 . . . . 0.0 110.469 177.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 100' ' ' LYS . 33.3 mm-40 -60.75 -49.49 77.28 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 115.344 -0.844 . . . . 0.0 111.491 -177.515 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 10.8 p -61.1 -39.53 90.33 Favored 'General case' 0 C--O 1.235 0.338 0 CA-C-O 120.765 0.317 . . . . 0.0 111.34 -178.261 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.533 HG13 HG13 ' A' ' 78' ' ' VAL . 77.4 t -65.13 -56.57 14.97 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.211 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.439 176.584 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 48.1 mt -56.83 -42.2 79.2 Favored 'General case' 0 N--CA 1.465 0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.917 -178.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 50.9 t80 -57.45 -50.66 72.3 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.729 -0.668 . . . . 0.0 110.519 178.589 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.482 ' HB ' HG21 ' A' ' 78' ' ' VAL . 25.2 m -70.54 -38.98 74.26 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.216 -178.219 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.58 ' HB3' HG12 ' A' ' 14' ' ' ILE . 71.1 mt -56.38 -43.16 78.97 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.724 0.297 . . . . 0.0 111.137 179.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -65.0 -35.73 82.13 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.153 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -70.2 -37.02 75.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.997 -179.555 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.521 HG22 HG21 ' A' ' 70' ' ' VAL . 48.3 t -77.48 -46.63 27.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.229 -178.618 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . . . . . . . . . 1.4 tmmt? -56.75 -38.34 72.3 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-N 115.598 -0.728 . . . . 0.0 110.583 -178.063 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -64.02 -46.97 82.11 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.837 -178.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . . . . . . . . . 61.2 tt0 -67.15 -40.01 86.63 Favored 'General case' 0 C--O 1.233 0.211 0 CA-C-O 120.491 0.186 . . . . 0.0 111.411 -179.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.401 HG13 ' O ' ' A' ' 113' ' ' VAL . 80.6 mt -57.34 -46.55 85.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 121.037 0.446 . . . . 0.0 110.474 178.034 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . -73.18 -27.74 61.81 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.785 178.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 72.3 ttt-85 -66.11 -53.58 36.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.205 -178.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 52.7 mm-40 -71.04 -64.47 0.9 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.461 -177.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -178.89 -55.14 0.01 OUTLIER 'General case' 0 N--CA 1.465 0.303 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.046 176.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 25.8 p -174.72 -69.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.938 -0.573 . . . . 0.0 110.397 179.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.418 ' HA ' HD11 ' A' ' 61' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.202 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.928 -179.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 N--CA 1.481 1.12 0 CA-C-O 120.801 0.334 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' LEU . . . . . . . . . . . . . 80.2 mt -144.53 84.76 1.75 Allowed 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.013 -0.54 . . . . 0.0 109.646 176.056 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.484 ' O ' ' HG3' ' A' ' 8' ' ' GLU . 37.2 t -125.36 144.18 50.62 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.605 -176.349 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.594 ' HG2' ' HG2' ' A' ' 8' ' ' GLU . 67.6 mt-30 -90.06 24.41 2.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.425 -178.74 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 9.7 p -66.05 -58.79 4.69 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.124 0.488 . . . . 0.0 109.814 173.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.502 HD13 ' HA3' ' A' ' 57' ' ' GLY . 43.5 tp -163.95 4.15 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.276 -0.874 . . . . 0.0 109.356 174.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 39.1 tp -77.63 -53.02 8.07 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.542 -0.754 . . . . 0.0 111.62 -171.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLU . . . . . 0.594 ' HG2' ' HG2' ' A' ' 4' ' ' GLN . 0.0 OUTLIER -64.58 -39.22 93.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.856 0.36 . . . . 0.0 111.805 -175.931 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' MET . . . . . 0.411 ' HE3' ' HA ' ' A' ' 6' ' ' LEU . 62.7 mtm -59.62 -39.55 84.63 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.634 176.055 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.521 ' O ' HG13 ' A' ' 14' ' ' ILE . 58.4 m -68.22 -45.53 73.03 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.286 175.586 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -55.0 -47.4 74.69 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.448 178.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . 0.453 ' O ' HG23 ' A' ' 16' ' ' VAL . 53.0 tt0 -64.55 -41.61 96.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.377 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' MET . . . . . 0.429 ' HE1' ' HA ' ' A' ' 51' ' ' ALA . 48.3 ttm -63.11 -40.84 98.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.35 -0.386 . . . . 0.0 110.806 179.41 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.521 HG13 ' O ' ' A' ' 10' ' ' THR . 74.9 mt -60.97 -46.38 96.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 121.078 0.466 . . . . 0.0 110.425 177.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -63.3 -46.15 88.05 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.531 -0.759 . . . . 0.0 110.774 -177.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 12' ' ' GLN . 92.6 t -61.66 -42.62 94.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.172 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.48 -48.87 73.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 120.835 0.35 . . . . 0.0 110.709 179.287 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -58.51 -47.62 83.53 Favored 'General case' 0 N--CA 1.444 -0.749 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.47 178.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 12.4 mptt -75.76 -24.68 56.06 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.5 -177.699 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -63.54 -44.96 95.81 Favored Glycine 0 N--CA 1.449 -0.487 0 N-CA-C 111.0 -0.84 . . . . 0.0 111.0 172.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 25' ' ' GLN . . . -63.89 -43.76 95.04 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.975 0.417 . . . . 0.0 110.28 175.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -61.5 -37.44 83.71 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.843 -0.617 . . . . 0.0 111.177 178.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 22.2 tpt180 -68.73 -39.37 80.4 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.971 0.415 . . . . 0.0 110.18 178.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.513 ' HE1' ' HB3' ' A' ' 92' ' ' HIS . 45.5 t80 -64.39 -37.32 87.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.671 175.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 21' ' ' ALA . 27.4 mt-30 -65.47 -33.82 76.83 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 115.467 -0.788 . . . . 0.0 111.248 176.709 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 66.5 tt0 -65.82 -39.52 90.94 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.056 179.321 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 71.69 70.54 1.19 Allowed Glycine 0 N--CA 1.449 -0.499 0 N-CA-C 111.399 -0.68 . . . . 0.0 111.399 -178.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 32.0 tptt -82.2 74.7 9.16 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-O 120.726 0.298 . . . . 0.0 111.257 -173.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 13.1 t-20 71.59 147.16 0.08 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 115.187 -0.915 . . . . 0.0 111.636 174.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' SER . . . . . . . . . . . . . 8.9 t -109.17 -3.86 16.97 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-O 121.479 0.657 . . . . 0.0 109.745 176.656 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASN . . . . . . . . . . . . . 27.0 t-20 -76.34 111.18 11.52 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 115.479 -0.782 . . . . 0.0 110.046 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 40.9 t60 -82.44 76.38 9.31 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.442 -177.055 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.9 p -103.23 3.69 35.86 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.324 0.583 . . . . 0.0 110.248 175.087 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -106.09 84.2 2.01 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 108.855 -0.795 . . . . 0.0 108.855 177.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -86.1 80.98 8.63 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 -169.283 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . 0.586 ' HA ' HD12 ' A' ' 40' ' ' ILE . 1.1 t80 57.31 24.28 9.81 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 162.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 60.5 t80 -150.79 -39.3 0.13 Allowed 'General case' 0 C--N 1.328 -0.365 0 O-C-N 121.723 -0.61 . . . . 0.0 111.736 -179.132 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -64.75 -60.34 3.2 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-O 120.942 0.401 . . . . 0.0 111.664 -177.336 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 9.9 t -102.24 -22.73 14.11 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.107 0.48 . . . . 0.0 110.51 179.493 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.586 HD12 ' HA ' ' A' ' 36' ' ' PHE . 37.1 mt -93.28 80.42 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.357 -177.278 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.556 ' HB3' ' HD3' ' A' ' 42' ' ' PRO . 28.2 ttpp -168.27 -64.94 0.01 OUTLIER Pre-proline 0 CA--C 1.538 0.485 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.41 177.719 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.556 ' HD3' ' HB3' ' A' ' 41' ' ' LYS . 44.4 Cg_endo -67.18 -45.62 3.71 Favored 'Trans proline' 0 C--N 1.355 0.89 0 C-N-CA 121.768 1.645 . . . . 0.0 112.984 -173.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -60.64 -38.66 85.55 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.83 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 42.6 t -62.25 -48.46 88.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 115.796 -0.638 . . . . 0.0 110.742 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -61.77 -44.73 96.32 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.327 -178.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 13.1 mm-40 -58.16 -52.3 66.13 Favored 'General case' 0 N--CA 1.453 -0.319 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.017 176.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . 0.447 HD22 ' N ' ' A' ' 47' ' ' ASN . 0.9 OUTLIER -66.99 -32.85 74.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.372 -176.372 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -55.31 -56.3 21.68 Favored 'General case' 0 C--O 1.234 0.269 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.943 177.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.4 ' O ' ' HB2' ' A' ' 53' ' ' ARG . 21.9 mt-10 -72.91 -31.32 64.57 Favored 'General case' 0 C--N 1.329 -0.317 0 C-N-CA 120.997 -0.281 . . . . 0.0 111.279 178.727 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 14.1 tp -57.24 -51.52 69.01 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 121.148 0.499 . . . . 0.0 110.162 178.394 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.825 ' HB1' ' HG3' ' A' ' 79' ' ' LYS . . . -68.57 -36.36 78.65 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.476 -0.784 . . . . 0.0 111.445 -179.784 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -64.86 -49.66 69.66 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.735 0.302 . . . . 0.0 110.859 178.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . 0.4 ' HB2' ' O ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -58.81 -44.8 90.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.45 178.06 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 66.4 t90 -60.25 -49.65 76.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.246 -0.888 . . . . 0.0 110.69 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -59.87 -41.68 92.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.403 -0.362 . . . . 0.0 111.119 179.45 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -59.02 -46.92 86.99 Favored 'General case' 0 N--CA 1.449 -0.518 0 CA-C-O 120.968 0.413 . . . . 0.0 110.995 177.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.502 ' HA3' HD13 ' A' ' 6' ' ' LEU . . . -69.36 -36.14 77.65 Favored Glycine 0 N--CA 1.449 -0.461 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.266 179.569 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -67.18 -40.75 86.61 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.803 0.335 . . . . 0.0 111.092 178.549 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.423 HD23 HD11 ' A' ' 62' ' ' ILE . 52.5 mt -63.72 -36.02 82.49 Favored 'General case' 0 N--CA 1.449 -0.525 0 CA-C-O 121.109 0.481 . . . . 0.0 110.546 176.693 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -63.79 -45.36 90.06 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.762 -0.654 . . . . 0.0 110.137 172.554 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 9.2 tt -60.39 -48.21 82.73 Favored 'General case' 0 C--O 1.224 -0.26 0 CA-C-N 115.375 -0.829 . . . . 0.0 111.245 -177.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ILE . . . . . 0.423 HD11 HD23 ' A' ' 59' ' ' LEU . 38.2 pt -73.09 -8.78 12.16 Favored 'Isoleucine or valine' 0 C--O 1.236 0.345 0 N-CA-C 112.025 0.38 . . . . 0.0 112.025 -175.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -82.09 -48.14 11.72 Favored 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.222 -0.659 . . . . 0.0 109.222 176.199 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 60.2 t -85.22 -44.23 17.15 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 115.822 -0.626 . . . . 0.0 111.326 -176.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.535 ' HD3' ' OE2' ' A' ' 120' ' ' GLU . 0.2 OUTLIER -101.53 141.4 34.46 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.63 -175.011 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -68.23 119.64 69.08 Favored Pre-proline 0 C--O 1.235 0.324 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.617 172.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 3.3 Cg_exo -74.23 107.76 2.51 Favored 'Trans proline' 0 N--CA 1.459 -0.518 0 C-N-CA 123.057 2.505 . . . . 0.0 111.036 176.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 14.6 pttm -110.16 -36.79 5.74 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.656 -174.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -102.02 -39.02 7.5 Favored 'General case' 0 C--N 1.326 -0.446 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 176.397 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.411 HG21 HG22 ' A' ' 113' ' ' VAL . 12.3 p -92.41 158.93 2.84 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 115.663 -0.699 . . . . 0.0 109.624 174.226 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -136.19 158.76 43.65 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 179.047 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 14.7 tmtt? -57.77 -49.15 77.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.13 -177.696 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -57.21 -39.22 75.0 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.074 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLN . . . . . . . . . . . . . 50.7 mt-30 -63.17 -34.68 78.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.908 -177.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 44.1 mm -62.81 -44.63 99.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-O 120.897 0.379 . . . . 0.0 111.108 -177.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -70.66 -41.34 72.23 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.063 0.459 . . . . 0.0 109.868 179.332 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.06 -45.15 93.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.623 -178.535 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.493 HG13 HG13 ' A' ' 106' ' ' VAL . 76.8 t -68.58 -41.0 82.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 C-N-CA 121.168 -0.213 . . . . 0.0 111.424 -177.298 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . 0.825 ' HG3' ' HB1' ' A' ' 51' ' ' ALA . 86.6 tttt -57.41 -44.3 84.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.232 0.539 . . . . 0.0 110.19 177.461 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -67.52 -51.36 51.91 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.279 -0.873 . . . . 0.0 111.017 179.683 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASN . . . . . . . . . . . . . 24.2 m-80 -65.08 -28.9 69.77 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.666 -177.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . 0.406 ' O ' HG23 ' A' ' 86' ' ' VAL . 58.6 t80 -65.47 -50.89 63.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.885 0.374 . . . . 0.0 110.087 177.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . . . . . . . . . 82.7 mt -65.65 -35.09 79.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.459 177.371 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 5.9 tp10 -60.34 -50.16 74.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.18 175.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.6 tt -55.03 -48.53 73.29 Favored 'General case' 0 N--CA 1.462 0.148 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.485 -179.271 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 82' ' ' PHE . 58.5 t -59.43 -45.27 93.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.906 179.362 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 59.4 tp -65.09 -48.06 75.03 Favored 'General case' 0 C--O 1.237 0.403 0 CA-C-O 121.009 0.433 . . . . 0.0 111.035 -178.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLN . . . . . . . . . . . . . 68.1 mt-30 -71.74 -15.78 62.2 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.191 -177.426 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' SER . . . . . . . . . . . . . 22.6 t -69.7 -33.55 72.68 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 110.25 -0.278 . . . . 0.0 110.25 177.5 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 53.3 m-85 -76.05 -53.39 8.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.26 -178.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' VAL . . . . . . . . . . . . . 27.2 m -85.37 -33.83 8.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 112.104 0.409 . . . . 0.0 112.104 -174.602 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' HIS . . . . . 0.513 ' HB3' ' HE1' ' A' ' 24' ' ' TYR . 18.2 p80 37.05 81.48 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 124.264 1.025 . . . . 0.0 113.601 -177.759 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' HIS . . . . . . . . . . . . . 20.8 p80 -102.07 -0.33 33.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.146 0.498 . . . . 0.0 110.232 173.182 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . . . . . . . . . 34.7 pt -91.12 158.03 2.91 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 N-CA-C 108.853 -0.795 . . . . 0.0 108.853 173.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' HIS . . . . . . . . . . . . . 12.3 t-160 -83.05 -69.7 0.61 Allowed 'General case' 0 C--N 1.324 -0.524 0 C-N-CA 120.2 -0.6 . . . . 0.0 111.27 -177.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 9.6 tmtt? -164.85 -43.57 0.03 OUTLIER 'General case' 0 N--CA 1.464 0.234 0 C-N-CA 120.364 -0.534 . . . . 0.0 111.336 -172.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 28.0 mtpp -61.65 -43.37 98.99 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.107 -0.497 . . . . 0.0 112.105 -172.592 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 82.2 mtt180 -64.77 -34.42 78.31 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.622 0.249 . . . . 0.0 111.237 -179.095 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -64.5 -37.07 86.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.141 -174.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 56.5 tttm -62.2 -52.16 64.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.316 179.012 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -57.91 -45.57 86.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.315 -177.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 77.2 mt -57.13 -50.32 76.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.307 177.304 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 32.2 m -58.42 -45.44 88.44 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.428 178.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -60.32 -50.31 74.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.579 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . . . . . . . . . 17.2 t -62.3 -42.75 99.62 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.548 -0.296 . . . . 0.0 111.142 -176.541 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.606 ' O ' ' HG ' ' A' ' 110' ' ' LEU . 98.0 t -66.73 -56.95 11.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.651 179.312 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.85 -45.37 82.45 Favored 'General case' 0 C--O 1.234 0.265 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.88 -177.358 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 63.1 t80 -57.35 -45.88 83.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.81 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.468 ' HB ' HG21 ' A' ' 78' ' ' VAL . 25.8 m -69.59 -37.9 77.1 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.606 ' HG ' ' O ' ' A' ' 106' ' ' VAL . 83.3 mt -58.49 -44.55 89.43 Favored 'General case' 0 C--N 1.333 -0.141 0 CA-C-O 120.674 0.273 . . . . 0.0 110.472 177.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' HIS . . . . . . . . . . . . . 89.7 m-70 -64.99 -34.35 78.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.685 178.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ALA . . . . . . . . . . . . . . . -65.47 -41.91 92.85 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.877 0.37 . . . . 0.0 110.916 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.411 HG22 HG21 ' A' ' 70' ' ' VAL . 55.2 t -72.06 -47.98 51.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.126 0.489 . . . . 0.0 109.84 -179.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' LYS . . . . . 0.436 ' HD3' ' C ' ' A' ' 114' ' ' LYS . 1.3 tmtp? -59.33 -42.91 92.54 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.401 -0.818 . . . . 0.0 110.375 -178.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -63.53 -47.59 80.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.273 -177.684 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' GLU . . . . . 0.447 ' O ' ' HG2' ' A' ' 120' ' ' GLU . 21.4 mt-10 -61.57 -45.73 92.88 Favored 'General case' 0 C--N 1.334 -0.108 0 C-N-CA 121.221 -0.192 . . . . 0.0 110.924 179.11 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ILE . . . . . 0.409 HG13 ' O ' ' A' ' 113' ' ' VAL . 84.1 mt -57.44 -50.33 77.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.957 0.408 . . . . 0.0 110.92 177.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . 0.921 ' HA ' ' HB3' ' A' ' 122' ' ' SER . . . -73.43 -11.76 60.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.574 -177.593 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 16.2 ttm180 -92.85 -53.04 4.32 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.506 -0.315 . . . . 0.0 111.188 -178.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.535 ' OE2' ' HD3' ' A' ' 65' ' ' ARG . 5.2 mm-40 -64.99 -52.97 53.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.741 -176.479 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -173.8 103.9 0.12 Allowed 'General case' 0 C--N 1.332 -0.183 0 CA-C-N 116.201 -0.454 . . . . 0.0 109.996 177.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . 0.921 ' HB3' ' HA ' ' A' ' 118' ' ' ALA . 7.3 p -96.12 -54.55 3.26 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.308 -176.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 52.7 mtt180 . . . . . 0 N--CA 1.467 0.402 0 CA-C-N 115.658 -0.701 . . . . 0.0 112.373 176.592 . . . . . . . . 0 0 . 1 stop_ save_